| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF01127 | methylcarbamic acid |
|
-0.977 | 0.439 | 75.067 | 0.0199 |
Ritonavir ,Amprenavir ,Demecarium ,Physostigmine ,Rivastigmine ,Estramustine ,Docetaxel ,Darunavir ,Fosamprenavir ,Cobicistat , ( Total
10 Medicines )
bendiocarb ,carbaryl ,benfuracarb ,carbofuran ,decarbofuran ,furathiocarb ,aldicarb ,aldoxycarb ,butocarboxim ,butoxycarboxim , ( Total 48 Pesticides) |
| FDBF00208 | propan-2-amine |
|
-0.371 | -0.166 | 59.110 | 0.0210 |
Amphetamine ,Esmolol ,Phentermine ,Indecainide ,Betaxolol ,Isoetarine ,Metoprolol ,Disopyramide ,Capreomycin ,Atenolol , ( Total
52 Medicines )
benfuracarb ,fenamiphos ,isofenphos ,isofenphos-methyl ,mipafox ,amiprofos-methyl ,amiprophos ,DMPA ,shuangjiaancaolin , ( Total 9 Pesticides) |
| FDBF04918 | ethoxyphosphinothious acid |
|
0.119 | -0.570 | 110.115 | 0.0220 | acethion ,chlorethoxyfos ,chlormephos ,demephion ,demephion-O ,demeton ,demeton-O ,demeton-methyl ,disulfoton ,ethion , ( Total 64 Pesticides) |
| FDBF00378 | fluorobenzene |
|
2.398 | -1.833 | 96.102 | 0.0237 |
Citalopram ,Droperidol ,Haloperidol ,Linezolid ,Cisapride ,Astemizole ,Aprepitant ,Midazolam ,Flurazepam ,Flurbiprofen , ( Total
49 Medicines )
flufenoxuron ,cyfluthrin ,protrifenbute ,silafluofen ,beflubutamid ,flufenacet ,metamifop ,picolinafen ,triafamone ,bencarbazone , ( Total 20 Pesticides) |
| FDBF00070 | N-ethylethanamine |
|
0.266 | -1.379 | 73.137 | 0.0240 |
Spermine ,Ramipril ,Gadodiamide ,Lidocaine ,Ibutilide ,Colestipol ,Ethopropazine ,Trandolapril ,Cinchocaine ,Gadoversetamide , ( Total
60 Medicines )
amiton ,pirimiphos-ethyl ,pirimiphos-methyl ,pirimetaphos ,benfluralin ,dinitramine ,chlorazine ,ipazine ,trietazine ,dodicin , ( Total 10 Pesticides) |
| FDBF00100 | ethyl formate |
|
0.082 | -0.227 | 74.079 | 0.0244 |
Phosphatidylserine ,Ramipril ,Succinylcholine ,Oxyphenonium ,Etomidate ,Pethidine ,Hexylcaine ,Trandolapril ,Benazepril ,Valaciclovir , ( Total
51 Medicines )
benfuracarb ,alanycarb ,ethyl formate ,kelevan ,phenthoate ,acethion ,acetophos ,malathion ,methylacetophos ,pyrazophos , ( Total 20 Pesticides) |
| FDBF00283 | BLAH |
|
-2.569 | 0.833 | 66.080 | 0.0244 |
Sildenafil ,Remikiren ,Eletriptan ,Dapsone ,Argatroban ,Sucralfate ,Sumatriptan ,Amprenavir ,Tirofiban ,Sulfasalazine , ( Total
33 Medicines )
flursulamid ,sulfluramid ,bensultap ,demeton-S-methylsulphon ,famphur ,fluhexafon ,cafenstrole ,epronaz ,flucarbazone ,perfluidone , ( Total 38 Pesticides) |
| FDBF00046 | aniline |
|
1.260 | -1.189 | 93.126 | 0.0247 |
Tetrahydrofolic acid ,Folic Acid ,Dapsone ,Sulfanilamide ,Sulfisoxazole ,Amsacrine ,Chlorambucil ,Aminohippurate ,Aminoglutethimide ,Sulfadiazine , ( Total
61 Medicines )
metaflumizone ,asulam ,cambendichlor ,pyribambenz-isopropyl ,pyribambenz-propyl ,diphenylamine ,famoxadone ,fenamidone ,cyprodinil ,mepanipyrim , ( Total 11 Pesticides) |
| FDBF00168 | methoxyethane |
|
0.187 | -0.625 | 60.095 | 0.0254 |
Fluvoxamine ,Betaxolol ,Metoprolol ,Clemastine ,Tenofovir ,Doxylamine ,Cidofovir ,Nimodipine ,Erlotinib ,Chlormerodrin , ( Total
53 Medicines )
flufenprox ,pyrimidifen ,chlorfenapyr ,pethoxamid ,etobenzanid ,acetochlor ,butachlor ,dimethachlor ,ethachlor ,pretilachlor , ( Total 21 Pesticides) |
| FDBF00065 | ethylene glycol |
|
-0.637 | 0.629 | 62.068 | 0.0265 |
Vitamin C ,Riboflavin ,N-Acetyl-D-glucosamine ,Esmolol ,Betaxolol ,Remikiren ,Ranolazine ,Metoprolol ,Travoprost ,Calcium Gluceptate , ( Total
68 Medicines )
2,4-DEP ,disul ,fenteracol ,polyoxorim ,debacarb ,triadimenol ,ethylmercury 2,3-dihydroxypropyl mercaptide ,bitertanol ,polyoxorim-zinc , ( Total 9 Pesticides) |
5919 ,
592
