Checkmol Features Reference PDF

Ring in Drugs PAPER
Ring in Drugs SUPPORT INFO.



ID Features ID in Sets Features ID Features Section Features Sequence
01Checkmol 1Checkmolcation
12Checkmol 2Checkmolanion
23Checkmol 3Checkmolcarbonyl compound
34Checkmol 4Checkmolaldehyde
45Checkmol 5Checkmolketone
56Checkmol 6Checkmolthiocarbonyl compound
67Checkmol 7Checkmolthioaldehyde
78Checkmol 8Checkmolthioketone
89Checkmol 9Checkmolimine
910Checkmol 10Checkmolhydrazone
1011Checkmol 11Checkmolsemicarbazone
1112Checkmol 12Checkmolthiosemicarbazone
1213Checkmol 13Checkmoloxime
1314Checkmol 14Checkmoloxime ether
1415Checkmol 15Checkmolketene
1516Checkmol 16Checkmolketene acetal derivative
1617Checkmol 17Checkmolcarbonyl hydrate
1718Checkmol 18Checkmolhemiacetal
1819Checkmol 19Checkmolacetal
1920Checkmol 20Checkmolhemiaminal
2021Checkmol 21Checkmolaminal
2122Checkmol 22Checkmolthiohemiaminal
2223Checkmol 23Checkmolthioacetal
2324Checkmol 24Checkmolenamine
2425Checkmol 25Checkmolenol
2526Checkmol 26Checkmolenolether
2627Checkmol 27Checkmolhydroxy compound
2728Checkmol 28Checkmolalcohol
2829Checkmol 29Checkmolprim. alcohol
2930Checkmol 30Checkmolsec. alcohol
3031Checkmol 31Checkmoltert. alcohol
3132Checkmol 32Checkmol1,2-diol
3233Checkmol 33Checkmol1,2-aminoalcohol
3334Checkmol 34Checkmolphenol
3435Checkmol 35Checkmol1,2-diphenol
3536Checkmol 36Checkmolenediol
3637Checkmol 37Checkmolether
3738Checkmol 38Checkmoldialkylether
3839Checkmol 39Checkmolalkylarylether
3940Checkmol 40Checkmoldiarylether
4041Checkmol 41Checkmolthioether
4142Checkmol 42Checkmoldisulfide
4243Checkmol 43Checkmolperoxide
4344Checkmol 44Checkmolhydroperoxide
4445Checkmol 45Checkmolhydrazine derivative
4546Checkmol 46Checkmolhydroxylamine
4647Checkmol 47Checkmolamine
4748Checkmol 48Checkmolprim. amine
4849Checkmol 49Checkmolprim. aliphat. amine
4950Checkmol 50Checkmolprim. aromat. amine
5051Checkmol 51Checkmolsec. amine
5152Checkmol 52Checkmolsec. aliphat. amine
5253Checkmol 53Checkmolsec. mixed amine (aryl alkyl)
5354Checkmol 54Checkmolsec. aromat. amine
5455Checkmol 55Checkmoltert. amine
5556Checkmol 56Checkmoltert. aliphat. amine
5657Checkmol 57Checkmoltert. mixed amine
5758Checkmol 58Checkmoltert. arom_amine
5859Checkmol 59Checkmolquaternary ammonium salt
5960Checkmol 60CheckmolN-oxide
6061Checkmol 61Checkmolhalogen deriv.
6162Checkmol 62Checkmolalkyl halide
6263Checkmol 63Checkmolalkyl fluoride
6364Checkmol 64Checkmolalkyl chloride
6465Checkmol 65Checkmolalkyl bromide
6566Checkmol 66Checkmolalkyl iodide
6667Checkmol 67Checkmolaryl halide
6768Checkmol 68Checkmolaryl fluoride
6869Checkmol 69Checkmolaryl chloride
6970Checkmol 70Checkmolaryl bromide
7071Checkmol 71Checkmolaryl iodide
7172Checkmol 72Checkmolorganometallic compound
7273Checkmol 73Checkmolorganolithium compound
7374Checkmol 74Checkmolorganomagnesium compound
7475Checkmol 75Checkmolcarboxylic acid deriv.
7576Checkmol 76Checkmolcarboxylic acid
7677Checkmol 77Checkmolcarboxylic acid salt
7778Checkmol 78Checkmolcarboxylic acid ester
7879Checkmol 79Checkmollactone
7980Checkmol 80Checkmolcarboxylic acid amide
8081Checkmol 81Checkmolcarboxylic acid prim. amide
8182Checkmol 82Checkmolcarboxylic acid sec. amide
8283Checkmol 83Checkmolcarboxylic acid tert. amide
8384Checkmol 84Checkmollactam
8485Checkmol 85Checkmolcarboxylic acid hydrazide
8586Checkmol 86Checkmolcarboxylic acid azide
8687Checkmol 87Checkmolhydroxamic acid
8788Checkmol 88Checkmolcarboxylic acid amidine
8889Checkmol 89Checkmolcarboxylic acid amidrazone
8990Checkmol 90Checkmolnitrile
9091Checkmol 91Checkmolacyl halide
9192Checkmol 92Checkmolacyl fluoride
9293Checkmol 93Checkmolacyl chloride
9394Checkmol 94Checkmolacyl bromide
9495Checkmol 95Checkmolacyl iodide
9596Checkmol 96Checkmolacyl cyanide
9697Checkmol 97Checkmolimido ester
9798Checkmol 98Checkmolimidoyl halide
9899Checkmol 99Checkmolthiocarboxylic acid deriv.
99100Checkmol 100Checkmolthiocarboxylic acid
100101Checkmol 101Checkmolthiocarboxylic acid ester
101102Checkmol 102Checkmolthiolactone
102103Checkmol 103Checkmolthiocarboxylic acid amide
103104Checkmol 104Checkmolthiolactam
104105Checkmol 105Checkmolimidothioester
105106Checkmol 106Checkmoloxohetarene
106107Checkmol 107Checkmolthioxohetarene
107108Checkmol 108Checkmoliminohetarene
108109Checkmol 109Checkmolorthocarboxylic acid deriv.
109110Checkmol 110Checkmolcarboxylic acid orthoester
110111Checkmol 111Checkmolcarboxylic acid amide acetal
111112Checkmol 112Checkmolcarboxylic acid anhydride
112113Checkmol 113Checkmolcarboxylic acid imide
113114Checkmol 114Checkmolcarboxylic acid unsubst. imide
114115Checkmol 115Checkmolcarboxylic acid subst. imide
115116Checkmol 116CheckmolCO2 deriv. (general)
116117Checkmol 117Checkmolcarbonic acid deriv.
117118Checkmol 118Checkmolcarbonic acid monoester
118119Checkmol 119Checkmolcarbonic acid diester
119120Checkmol 120Checkmolcarbonic acid ester halide
120121Checkmol 121Checkmolthiocarbonic acid deriv.
121122Checkmol 122Checkmolthiocarbonic acid monoester
122123Checkmol 123Checkmolthiocarbonic acid diester
123124Checkmol 124Checkmolthiocarbonic acid ester halide
124125Checkmol 125Checkmolcarbamic acid deriv
125126Checkmol 126Checkmolcarbamic acid
126127Checkmol 127Checkmolcarbamic acid ester(urethane)
127128Checkmol 128Checkmolcarbamic acid halide
128129Checkmol 129Checkmolthiocarbamic acid deriv.
129130Checkmol 130Checkmolthiocarbamic acid
130131Checkmol 131Checkmolthiocarbamic acid ester
131132Checkmol 132Checkmolthiocarbamic acid halide
132133Checkmol 133Checkmolurea
133134Checkmol 134Checkmolisourea
134135Checkmol 135Checkmolthiourea
135136Checkmol 136Checkmolisothiourea
136137Checkmol 137Checkmolguanidine
137138Checkmol 138Checkmolsemicarbazide
138139Checkmol 139Checkmolthiosemicarbazide
139140Checkmol 140Checkmolazide
140141Checkmol 141Checkmolazo compound
141142Checkmol 142Checkmoldiazonium salt
142143Checkmol 143Checkmolisonitrile
143144Checkmol 144Checkmolcyanate
144145Checkmol 145Checkmolisocyanate
145146Checkmol 146Checkmolthiocyanate
146147Checkmol 147Checkmolisothiocyanate
147148Checkmol 148Checkmolcarbodiimide
148149Checkmol 149Checkmolnitroso compound
149150Checkmol 150Checkmolnitro compound
150151Checkmol 151Checkmolnitrite
151152Checkmol 152Checkmolnitrate
152153Checkmol 153Checkmolsulfuric acid deriv.
153154Checkmol 154Checkmolsulfuric acid
154155Checkmol 155Checkmolsulfuric acid monoester
155156Checkmol 156Checkmolsulfuric acid diester
156157Checkmol 157Checkmolsulfuric acid amide ester
157158Checkmol 158Checkmolsulfuric acid amide
158159Checkmol 159Checkmolsulfuric acid diamide
159160Checkmol 160Checkmolsulfuryl halide
160161Checkmol 161Checkmolsulfonic acid deriv.
161162Checkmol 162Checkmolsulfonic acid
162163Checkmol 163Checkmolsulfonci acid ester
163164Checkmol 164Checkmolsulfonamide
164165Checkmol 165Checkmolsulfonyl halide
165166Checkmol 166Checkmolsulfone
166167Checkmol 167Checkmolsulfoxide
167168Checkmol 168Checkmolsulfinic acid deriv.
168169Checkmol 169Checkmolsulfinic acid
169170Checkmol 170Checkmolsulfinic acid ester
170171Checkmol 171Checkmolsulfinic acid halide
171172Checkmol 172Checkmolsulfinic acid amide
172173Checkmol 173Checkmolsulfenic acid deriv.
173174Checkmol 174Checkmolsulfenic acid
174175Checkmol 175Checkmolsulfenic acid ester
175176Checkmol 176Checkmolsulfenic acid halide
176177Checkmol 177Checkmolsulfenic acid amide
177178Checkmol 178Checkmolthiol
178179Checkmol 179Checkmolalkylthiol
179180Checkmol 180Checkmolarylthiol
180181Checkmol 181Checkmolphosphoric acid deriv.
181182Checkmol 182Checkmolphosphoric acid
182183Checkmol 183Checkmolphosphoric acid ester
183184Checkmol 184Checkmolphosphoric acid halide
184185Checkmol 185Checkmolphosphoric acid amide
185186Checkmol 186Checkmolthiophosphoric acid deriv.
186187Checkmol 187Checkmolthiophosphoric acid
187188Checkmol 188Checkmolthiophosphoric acid ester
188189Checkmol 189Checkmolthiophosphoric acid halide
189190Checkmol 190Checkmolthiophosphoric acid amide
190191Checkmol 191Checkmolphosphonic acid deriv.
191192Checkmol 192Checkmolphosphonic acid
192193Checkmol 193Checkmolphosphonic acid ester
193194Checkmol 194Checkmolphosphine
194195Checkmol 195Checkmolphosphinoxide
195196Checkmol 196Checkmolboronic acid deriv.
196197Checkmol 197Checkmolboronic acid
197198Checkmol 198Checkmolboronic acid ester
198199Checkmol 199Checkmolalkene
199200Checkmol 200Checkmolalkyne
200201Checkmol 201Checkmolaromatic compound
201202Checkmol 202Checkmolheterocyclic compound
202203Checkmol 203Checkmolalpha-aminoacid
203204Checkmol 204Checkmolalpha-hydroxyacid
204714Pubchem #1Section7: Complex SMARTS patternsCc1ccc(C)cc1
205715Pubchem #2Section7: Complex SMARTS patternsCc1ccc(O)cc1
206716Pubchem #3Section7: Complex SMARTS patternsCc1ccc(S)cc1
207717Pubchem #4Section7: Complex SMARTS patternsCc1ccc(N)cc1
208718Pubchem #5Section7: Complex SMARTS patternsCc1ccc(Cl)cc1
209719Pubchem #6Section7: Complex SMARTS patternsCc1ccc(Br)cc1
210720Pubchem #7Section7: Complex SMARTS patternsOc1ccc(O)cc1
211721Pubchem #8Section7: Complex SMARTS patternsOc1ccc(S)cc1
212722Pubchem #9Section7: Complex SMARTS patternsOc1ccc(N)cc1
213723Pubchem #10Section7: Complex SMARTS patternsOc1ccc(Cl)cc1
214724Pubchem #11Section7: Complex SMARTS patternsOc1ccc(Br)cc1
215725Pubchem #12Section7: Complex SMARTS patternsSc1ccc(S)cc1
216726Pubchem #13Section7: Complex SMARTS patternsSc1ccc(N)cc1
217727Pubchem #14Section7: Complex SMARTS patternsSc1ccc(Cl)cc1
218728Pubchem #15Section7: Complex SMARTS patternsSc1ccc(Br)cc1
219729Pubchem #16Section7: Complex SMARTS patternsNc1ccc(N)cc1
220730Pubchem #17Section7: Complex SMARTS patternsNc1ccc(Cl)cc1
221731Pubchem #18Section7: Complex SMARTS patternsNc1ccc(Br)cc1
222732Pubchem #19Section7: Complex SMARTS patternsClc1ccc(Cl)cc1
223733Pubchem #20Section7: Complex SMARTS patternsClc1ccc(Br)cc1
224734Pubchem #21Section7: Complex SMARTS patternsBrc1ccc(Br)cc1
225735Pubchem #22Section7: Complex SMARTS patternsCc1cc(C)ccc1
226736Pubchem #23Section7: Complex SMARTS patternsCc1cc(O)ccc1
227737Pubchem #24Section7: Complex SMARTS patternsCc1cc(S)ccc1
228738Pubchem #25Section7: Complex SMARTS patternsCc1cc(N)ccc1
229739Pubchem #26Section7: Complex SMARTS patternsCc1cc(Cl)ccc1
230740Pubchem #27Section7: Complex SMARTS patternsCc1cc(Br)ccc1
231741Pubchem #28Section7: Complex SMARTS patternsOc1cc(O)ccc1
232742Pubchem #29Section7: Complex SMARTS patternsOc1cc(S)ccc1
233743Pubchem #30Section7: Complex SMARTS patternsOc1cc(N)ccc1
234744Pubchem #31Section7: Complex SMARTS patternsOc1cc(Cl)ccc1
235745Pubchem #32Section7: Complex SMARTS patternsOc1cc(Br)ccc1
236746Pubchem #33Section7: Complex SMARTS patternsSc1cc(S)ccc1
237747Pubchem #34Section7: Complex SMARTS patternsSc1cc(N)ccc1
238748Pubchem #35Section7: Complex SMARTS patternsSc1cc(Cl)ccc1
239749Pubchem #36Section7: Complex SMARTS patternsSc1cc(Br)ccc1
240750Pubchem #37Section7: Complex SMARTS patternsNc1cc(N)ccc1
241751Pubchem #38Section7: Complex SMARTS patternsNc1cc(Cl)ccc1
242752Pubchem #39Section7: Complex SMARTS patternsNc1cc(Br)ccc1
243753Pubchem #40Section7: Complex SMARTS patternsClc1cc(Cl)ccc1
244754Pubchem #41Section7: Complex SMARTS patternsClc1cc(Br)ccc1
245755Pubchem #42Section7: Complex SMARTS patternsBrc1cc(Br)ccc1
246756Pubchem #43Section7: Complex SMARTS patternsCc1c(C)cccc1
247757Pubchem #44Section7: Complex SMARTS patternsCc1c(O)cccc1
248758Pubchem #45Section7: Complex SMARTS patternsCc1c(S)cccc1
249759Pubchem #46Section7: Complex SMARTS patternsCc1c(N)cccc1
250760Pubchem #47Section7: Complex SMARTS patternsCc1c(Cl)cccc1
251761Pubchem #48Section7: Complex SMARTS patternsCc1c(Br)cccc1
252762Pubchem #49Section7: Complex SMARTS patternsOc1c(O)cccc1
253763Pubchem #50Section7: Complex SMARTS patternsOc1c(S)cccc1
254764Pubchem #51Section7: Complex SMARTS patternsOc1c(N)cccc1
255765Pubchem #52Section7: Complex SMARTS patternsOc1c(Cl)cccc1
256766Pubchem #53Section7: Complex SMARTS patternsOc1c(Br)cccc1
257767Pubchem #54Section7: Complex SMARTS patternsSc1c(S)cccc1
258768Pubchem #55Section7: Complex SMARTS patternsSc1c(N)cccc1
259769Pubchem #56Section7: Complex SMARTS patternsSc1c(Cl)cccc1
260770Pubchem #57Section7: Complex SMARTS patternsSc1c(Br)cccc1
261771Pubchem #58Section7: Complex SMARTS patternsNc1c(N)cccc1
262772Pubchem #59Section7: Complex SMARTS patternsNc1c(Cl)cccc1
263773Pubchem #60Section7: Complex SMARTS patternsNc1c(Br)cccc1
264774Pubchem #61Section7: Complex SMARTS patternsClc1c(Cl)cccc1
265775Pubchem #62Section7: Complex SMARTS patternsClc1c(Br)cccc1
266776Pubchem #63Section7: Complex SMARTS patternsBrc1c(Br)cccc1
267777Pubchem #64Section7: Complex SMARTS patternsCC1CCC(C)CC1
268778Pubchem #65Section7: Complex SMARTS patternsCC1CCC(O)CC1
269779Pubchem #66Section7: Complex SMARTS patternsCC1CCC(S)CC1
270780Pubchem #67Section7: Complex SMARTS patternsCC1CCC(N)CC1
271781Pubchem #68Section7: Complex SMARTS patternsCC1CCC(Cl)CC1
272782Pubchem #69Section7: Complex SMARTS patternsCC1CCC(Br)CC1
273783Pubchem #70Section7: Complex SMARTS patternsOC1CCC(O)CC1
274784Pubchem #71Section7: Complex SMARTS patternsOC1CCC(S)CC1
275785Pubchem #72Section7: Complex SMARTS patternsOC1CCC(N)CC1
276786Pubchem #73Section7: Complex SMARTS patternsOC1CCC(Cl)CC1
277787Pubchem #74Section7: Complex SMARTS patternsOC1CCC(Br)CC1
278788Pubchem #75Section7: Complex SMARTS patternsSC1CCC(S)CC1
279789Pubchem #76Section7: Complex SMARTS patternsSC1CCC(N)CC1
280790Pubchem #77Section7: Complex SMARTS patternsSC1CCC(Cl)CC1
281791Pubchem #78Section7: Complex SMARTS patternsSC1CCC(Br)CC1
282792Pubchem #79Section7: Complex SMARTS patternsNC1CCC(N)CC1
283793Pubchem #80Section7: Complex SMARTS patternsNC1CCC(Cl)CC1
284794Pubchem #81Section7: Complex SMARTS patternsNC1CCC(Br)CC1
285795Pubchem #82Section7: Complex SMARTS patternsClC1CCC(Cl)CC1
286796Pubchem #83Section7: Complex SMARTS patternsClC1CCC(Br)CC1
287797Pubchem #84Section7: Complex SMARTS patternsBrC1CCC(Br)CC1
288798Pubchem #85Section7: Complex SMARTS patternsCC1CC(C)CCC1
289799Pubchem #86Section7: Complex SMARTS patternsCC1CC(O)CCC1
290800Pubchem #87Section7: Complex SMARTS patternsCC1CC(S)CCC1
291801Pubchem #88Section7: Complex SMARTS patternsCC1CC(N)CCC1
292802Pubchem #89Section7: Complex SMARTS patternsCC1CC(Cl)CCC1
293803Pubchem #90Section7: Complex SMARTS patternsCC1CC(Br)CCC1
294804Pubchem #91Section7: Complex SMARTS patternsOC1CC(O)CCC1
295805Pubchem #92Section7: Complex SMARTS patternsOC1CC(S)CCC1
296806Pubchem #93Section7: Complex SMARTS patternsOC1CC(N)CCC1
297807Pubchem #94Section7: Complex SMARTS patternsOC1CC(Cl)CCC1
298808Pubchem #95Section7: Complex SMARTS patternsOC1CC(Br)CCC1
299809Pubchem #96Section7: Complex SMARTS patternsSC1CC(S)CCC1
300810Pubchem #97Section7: Complex SMARTS patternsSC1CC(N)CCC1
301811Pubchem #98Section7: Complex SMARTS patternsSC1CC(Cl)CCC1
302812Pubchem #99Section7: Complex SMARTS patternsSC1CC(Br)CCC1
303813Pubchem #100Section7: Complex SMARTS patternsNC1CC(N)CCC1
304814Pubchem #101Section7: Complex SMARTS patternsNC1CC(Cl)CCC1
305815Pubchem #102Section7: Complex SMARTS patternsNC1CC(Br)CCC1
306816Pubchem #103Section7: Complex SMARTS patternsClC1CC(Cl)CCC1
307817Pubchem #104Section7: Complex SMARTS patternsClC1CC(Br)CCC1
308818Pubchem #105Section7: Complex SMARTS patternsBrC1CC(Br)CCC1
309819Pubchem #106Section7: Complex SMARTS patternsCC1C(C)CCCC1
310820Pubchem #107Section7: Complex SMARTS patternsCC1C(O)CCCC1
311821Pubchem #108Section7: Complex SMARTS patternsCC1C(S)CCCC1
312822Pubchem #109Section7: Complex SMARTS patternsCC1C(N)CCCC1
313823Pubchem #110Section7: Complex SMARTS patternsCC1C(Cl)CCCC1
314824Pubchem #111Section7: Complex SMARTS patternsCC1C(Br)CCCC1
315825Pubchem #112Section7: Complex SMARTS patternsOC1C(O)CCCC1
316826Pubchem #113Section7: Complex SMARTS patternsOC1C(S)CCCC1
317827Pubchem #114Section7: Complex SMARTS patternsOC1C(N)CCCC1
318828Pubchem #115Section7: Complex SMARTS patternsOC1C(Cl)CCCC1
319829Pubchem #116Section7: Complex SMARTS patternsOC1C(Br)CCCC1
320830Pubchem #117Section7: Complex SMARTS patternsSC1C(S)CCCC1
321831Pubchem #118Section7: Complex SMARTS patternsSC1C(N)CCCC1
322832Pubchem #119Section7: Complex SMARTS patternsSC1C(Cl)CCCC1
323833Pubchem #120Section7: Complex SMARTS patternsSC1C(Br)CCCC1
324834Pubchem #121Section7: Complex SMARTS patternsNC1C(N)CCCC1
325835Pubchem #122Section7: Complex SMARTS patternsNC1C(Cl)CCCC1
326836Pubchem #123Section7: Complex SMARTS patternsNC1C(Br)CCCC1
327837Pubchem #124Section7: Complex SMARTS patternsClC1C(Cl)CCCC1
328838Pubchem #125Section7: Complex SMARTS patternsClC1C(Br)CCCC1
329839Pubchem #126Section7: Complex SMARTS patternsBrC1C(Br)CCCC1
330840Pubchem #127Section7: Complex SMARTS patternsCC1CC(C)CC1
331841Pubchem #128Section7: Complex SMARTS patternsCC1CC(O)CC1
332842Pubchem #129Section7: Complex SMARTS patternsCC1CC(S)CC1
333843Pubchem #130Section7: Complex SMARTS patternsCC1CC(N)CC1
334844Pubchem #131Section7: Complex SMARTS patternsCC1CC(Cl)CC1
335845Pubchem #132Section7: Complex SMARTS patternsCC1CC(Br)CC1
336846Pubchem #133Section7: Complex SMARTS patternsOC1CC(O)CC1
337847Pubchem #134Section7: Complex SMARTS patternsOC1CC(S)CC1
338848Pubchem #135Section7: Complex SMARTS patternsOC1CC(N)CC1
339849Pubchem #136Section7: Complex SMARTS patternsOC1CC(Cl)CC1
340850Pubchem #137Section7: Complex SMARTS patternsOC1CC(Br)CC1
341851Pubchem #138Section7: Complex SMARTS patternsSC1CC(S)CC1
342852Pubchem #139Section7: Complex SMARTS patternsSC1CC(N)CC1
343853Pubchem #140Section7: Complex SMARTS patternsSC1CC(Cl)CC1
344854Pubchem #141Section7: Complex SMARTS patternsSC1CC(Br)CC1
345855Pubchem #142Section7: Complex SMARTS patternsNC1CC(N)CC1
346856Pubchem #143Section7: Complex SMARTS patternsNC1CC(Cl)CC1
347857Pubchem #144Section7: Complex SMARTS patternsNC1CC(Br)CC1
348858Pubchem #145Section7: Complex SMARTS patternsClC1CC(Cl)CC1
349859Pubchem #146Section7: Complex SMARTS patternsClC1CC(Br)CC1
350860Pubchem #147Section7: Complex SMARTS patternsBrC1CC(Br)CC1
351861Pubchem #148Section7: Complex SMARTS patternsCC1C(C)CCC1
352862Pubchem #149Section7: Complex SMARTS patternsCC1C(O)CCC1
353863Pubchem #150Section7: Complex SMARTS patternsCC1C(S)CCC1
354864Pubchem #151Section7: Complex SMARTS patternsCC1C(N)CCC1
355865Pubchem #152Section7: Complex SMARTS patternsCC1C(Cl)CCC1
356866Pubchem #153Section7: Complex SMARTS patternsCC1C(Br)CCC1
357867Pubchem #154Section7: Complex SMARTS patternsOC1C(O)CCC1
358868Pubchem #155Section7: Complex SMARTS patternsOC1C(S)CCC1
359869Pubchem #156Section7: Complex SMARTS patternsOC1C(N)CCC1
360870Pubchem #157Section7: Complex SMARTS patternsOC1C(Cl)CCC1
361871Pubchem #158Section7: Complex SMARTS patternsOC1C(Br)CCC1
362872Pubchem #159Section7: Complex SMARTS patternsSC1C(S)CCC1
363873Pubchem #160Section7: Complex SMARTS patternsSC1C(N)CCC1
364874Pubchem #161Section7: Complex SMARTS patternsSC1C(Cl)CCC1
365875Pubchem #162Section7: Complex SMARTS patternsSC1C(Br)CCC1
366876Pubchem #163Section7: Complex SMARTS patternsNC1C(N)CCC1
367877Pubchem #164Section7: Complex SMARTS patternsNC1C(Cl)CC1
368878Pubchem #165Section7: Complex SMARTS patternsNC1C(Br)CCC1
369879Pubchem #166Section7: Complex SMARTS patternsClC1C(Cl)CCC1
370880Pubchem #167Section7: Complex SMARTS patternsClC1C(Br)CCC1
371881Pubchem #168Section7: Complex SMARTS patternsBrC1C(Br)CCC1
372882In-house Moiety #1Type: Ecarboxylic_acid
373883In-house Moiety #2Type: Ephosphoric_acid
374884In-house Moiety #3Type: Esulfuric_acid
375885In-house Moiety #4Type: Hhydroxy_compound
376886In-house Moiety #5Type: Hether
377887In-house Moiety #6Type: Hprim_amine
378888In-house Moiety #7Type: Hsec_amine
379889In-house Moiety #8Type: Hcarbonyl_compound
380890In-house Moiety #9Type: Hpentane_2,4_dione
381891In-house Moiety #10Type: Hcarboxylic_acid_ester
382892In-house Moiety #11Type: H2,2_dimethoxypropane
383893In-house Moiety #12Type: Henol
384894In-house Moiety #13Type: Hnitro_compound
385895In-house Moiety #14Type: HN_methylacetamide
386896In-house Moiety #15Type: Hcarboxylic_acid_amide
387897In-house Moiety #16Type: Hguanidine
388898In-house Moiety #17Type: HVphenol_
389899In-house Moiety #18Type: HV1,2_diphenol
390900In-house Moiety #19Type: HVpiperidin_2_one_mod
391901In-house Moiety #20Type: HVpyridine
392902In-house Moiety #21Type: HVpyrimidine
393903In-house Moiety #22Type: HVpyridin_2_amine
394904In-house Moiety #23Type: HV5__hydroxymethyl_tetrahydrofuran_2,3,4_triol
395905In-house Moiety #24Type: HVquinazoline_
396906In-house Moiety #25Type: HV2_amino_1H_purin_6_9H__one
397907In-house Moiety #26Type: HV9H_purin_6_amine
398908In-house Moiety #27Type: Vbutane
399909In-house Moiety #28Type: Valkene
400910In-house Moiety #29Type: Varomatic_compound
401911In-house Moiety #30Type: Vnaphthalene
402912In-house Moiety #31Type: Vcyclopentane
403913In-house Moiety #32Type: Vcyclohexane
404914In-house Moiety #33Type: Visobutane
405915In-house Moiety #34Type: Vneopentane
406915Ring in Drug #1Ring in Drug #1
407916Ring in Drug #2Ring in Drug #2
408917Ring in Drug #3Ring in Drug #3
409918Ring in Drug #4Ring in Drug #4
410919Ring in Drug #5Ring in Drug #5
411920Ring in Drug #6Ring in Drug #6
412921Ring in Drug #7Ring in Drug #7
413922Ring in Drug #8Ring in Drug #8
414923Ring in Drug #9Ring in Drug #9
415924Ring in Drug #10Ring in Drug #10
416925Ring in Drug #11Ring in Drug #11
417926Ring in Drug #12Ring in Drug #12
418927Ring in Drug #13Ring in Drug #13
419928Ring in Drug #14Ring in Drug #14
420929Ring in Drug #15Ring in Drug #15
421930Ring in Drug #16Ring in Drug #16
422931Ring in Drug #17Ring in Drug #17
423932Ring in Drug #18Ring in Drug #18
424933Ring in Drug #19Ring in Drug #19
425934Ring in Drug #20Ring in Drug #20
426935Ring in Drug #21Ring in Drug #21
427936Ring in Drug #22Ring in Drug #22
428937Ring in Drug #23Ring in Drug #23
429938Ring in Drug #24Ring in Drug #24
430939Ring in Drug #25Ring in Drug #25
431940Ring in Drug #26Ring in Drug #26
432941Ring in Drug #27Ring in Drug #27
433942Ring in Drug #28Ring in Drug #28
434943Ring in Drug #29Ring in Drug #29
435944Ring in Drug #30Ring in Drug #30
436945Ring in Drug #31Ring in Drug #31
437946Ring in Drug #32Ring in Drug #32
438947Ring in Drug #33Ring in Drug #33
439948Ring in Drug #34Ring in Drug #34
440949Ring in Drug #35Ring in Drug #35
441950Ring in Drug #36Ring in Drug #36
442951Ring in Drug #37Ring in Drug #37
443952Ring in Drug #38Ring in Drug #38
444953Ring in Drug #39Ring in Drug #39
445954Ring in Drug #40Ring in Drug #40
446955Ring in Drug #41Ring in Drug #41
447956Ring in Drug #42Ring in Drug #42
448957Ring in Drug #43Ring in Drug #43
449958Ring in Drug #44Ring in Drug #44
450959Ring in Drug #45Ring in Drug #45
451960Ring in Drug #46Ring in Drug #46
452961Ring in Drug #47Ring in Drug #47
453962Ring in Drug #48Ring in Drug #48
454963Ring in Drug #49Ring in Drug #49
455964Ring in Drug #50Ring in Drug #50
456965Ring in Drug #51Ring in Drug #51
457966Ring in Drug #52Ring in Drug #52
458967Ring in Drug #53Ring in Drug #53
459968Ring in Drug #54Ring in Drug #54
460969Ring in Drug #55Ring in Drug #55
461970Ring in Drug #56Ring in Drug #56
462971Ring in Drug #57Ring in Drug #57
463972Ring in Drug #58Ring in Drug #58
464973Ring in Drug #59Ring in Drug #59
465974Ring in Drug #60Ring in Drug #60
466975Ring in Drug #61Ring in Drug #61
467976Ring in Drug #62Ring in Drug #62
468977Ring in Drug #63Ring in Drug #63
469978Ring in Drug #64Ring in Drug #64
470979Ring in Drug #65Ring in Drug #65
471980Ring in Drug #66Ring in Drug #66
472981Ring in Drug #67Ring in Drug #67
473982Ring in Drug #68Ring in Drug #68
474983Ring in Drug #69Ring in Drug #69
475984Ring in Drug #70Ring in Drug #70
476985Ring in Drug #71Ring in Drug #71
477986Ring in Drug #72Ring in Drug #72
478987Ring in Drug #73Ring in Drug #73
479988Ring in Drug #74Ring in Drug #74
480989Ring in Drug #75Ring in Drug #75
481990Ring in Drug #76Ring in Drug #76
482991Ring in Drug #77Ring in Drug #77
483992Ring in Drug #78Ring in Drug #78
484993Ring in Drug #79Ring in Drug #79
485994Ring in Drug #80Ring in Drug #80
486995Ring in Drug #81Ring in Drug #81
487996Ring in Drug #82Ring in Drug #82
488997Ring in Drug #83Ring in Drug #83
489998Ring in Drug #84Ring in Drug #84
490999Ring in Drug #85Ring in Drug #85
4911000Ring in Drug #86Ring in Drug #86
4921001Ring in Drug #87Ring in Drug #87
4931002Ring in Drug #88Ring in Drug #88
4941003Ring in Drug #89Ring in Drug #89
4951004Ring in Drug #90Ring in Drug #90
4961005Ring in Drug #91Ring in Drug #91
4971006Ring in Drug #92Ring in Drug #92
4981007Ring in Drug #93Ring in Drug #93
4991008Ring in Drug #94Ring in Drug #94
5001009Ring in Drug #95Ring in Drug #95
5011010Ring in Drug #96Ring in Drug #96
5021011Ring in Drug #97Ring in Drug #97
5031012Ring in Drug #98Ring in Drug #98
5041013Ring in Drug #99Ring in Drug #99
5051014Ring in Drug #100Ring in Drug #100
5061015Ring in Drug #101Ring in Drug #101
5071016Ring in Drug #102Ring in Drug #102
5081017Ring in Drug #103Ring in Drug #103
5091018Ring in Drug #104Ring in Drug #104
5101019Ring in Drug #105Ring in Drug #105
5111020Ring in Drug #106Ring in Drug #106
5121021Ring in Drug #107Ring in Drug #107
5131022Ring in Drug #108Ring in Drug #108
5141023Ring in Drug #109Ring in Drug #109
5151024Ring in Drug #110Ring in Drug #110
5161025Ring in Drug #111Ring in Drug #111
5171026Ring in Drug #112Ring in Drug #112
5181027Ring in Drug #113Ring in Drug #113
5191028Ring in Drug #114Ring in Drug #114
5201029Ring in Drug #115Ring in Drug #115
5211030Ring in Drug #116Ring in Drug #116
5221031Ring in Drug #117Ring in Drug #117
5231032Ring in Drug #118Ring in Drug #118
5241033Ring in Drug #119Ring in Drug #119
5251034Ring in Drug #120Ring in Drug #120
5261035Ring in Drug #121Ring in Drug #121
5271036Ring in Drug #122Ring in Drug #122
5281037Ring in Drug #123Ring in Drug #123
5291038Ring in Drug #124Ring in Drug #124
5301039Ring in Drug #125Ring in Drug #125
5311040Ring in Drug #126Ring in Drug #126
5321041Ring in Drug #127Ring in Drug #127
5331042Ring in Drug #128Ring in Drug #128
5341043Ring in Drug #129Ring in Drug #129
5351044Ring in Drug #130Ring in Drug #130
5361045Ring in Drug #131Ring in Drug #131
5371046Ring in Drug #132Ring in Drug #132
5381047Ring in Drug #133Ring in Drug #133
5391048Ring in Drug #134Ring in Drug #134
5401049Ring in Drug #135Ring in Drug #135
5411050Ring in Drug #136Ring in Drug #136
5421051Ring in Drug #137Ring in Drug #137
5431052Ring in Drug #138Ring in Drug #138
5441053Ring in Drug #139Ring in Drug #139
5451054Ring in Drug #140Ring in Drug #140
5461055Ring in Drug #141Ring in Drug #141
5471056Ring in Drug #142Ring in Drug #142
5481057Ring in Drug #143Ring in Drug #143
5491058Ring in Drug #144Ring in Drug #144
5501059Ring in Drug #145Ring in Drug #145
5511060Ring in Drug #146Ring in Drug #146
5521061Ring in Drug #147Ring in Drug #147