| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF04342 | 3,6-dimethylpyrimidin-4-one |
|
-1.798 | -0.510 | 124.141 | 0.0003 |
Fimasartan , ( Total
1 Medicines )
|
| FDBF02649 | 2-[(1R)-1-methylpropyl]-4-phenyl-1,2,4-triazol-3-one |
|
-1.784 | -2.040 | 219.283 | 0.0003 |
Itraconazole , ( Total
1 Medicines )
|
| FDBF02896 | (9S)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
|
-1.784 | -0.688 | 180.204 | 0.0003 |
Paliperidone , ( Total
1 Medicines )
|
| FDBF02643 | 4-phenyl-1H-1,2,4-triazol-5-one |
|
-1.781 | -1.271 | 161.161 | 0.0007 |
Itraconazole ,Posaconazole , ( Total
2 Medicines )
|
| FDBF07373 | N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)acetamide |
|
-1.752 | -1.724 | 246.262 | 0.0003 | oxadixyl , ( Total 1 Pesticides) |
| FDBF05862 | 1-BLAH-N-methoxy-N-methylformamide |
|
-1.750 | 0.751 | 104.108 | 0.0017 | chlorbromuron ,linuron ,metobenzuron ,metobromuron ,monolinuron , ( Total 5 Pesticides) |
| FDBF01767 | [(3S)-1-methyl-1λ4-azabicyclo[2.2.2]octan-3-yl] formate |
|
-1.744 | -1.484 | 170.229 | 0.0003 |
Clidinium , ( Total
1 Medicines )
|
| FDBF04916 | sulfanylphosphinous acid |
|
-1.723 | 0.589 | 82.062 | 0.0292 | acethion ,chlorethoxyfos ,chlormephos ,demephion ,demephion-O ,demeton ,demeton-O ,demeton-methyl ,disulfoton ,ethion , ( Total 85 Pesticides) |
| FDBF06042 | sulfanylphosphinous acid |
|
-1.723 | 0.589 | 82.062 | 0.0024 | amiprofos-methyl ,amiprophos ,bensulide ,butamifos ,DMPA ,piperophos ,shuangjiaancaolin , ( Total 7 Pesticides) |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
-1.711 | 0.452 | 95.141 | 0.0055 |
Remikiren ,Eletriptan ,Tirofiban ,Tinidazole ,Naratriptan ,Dalfopristin ,Amisulpride , ( Total
7 Medicines )
demeton-S-methylsulphon ,fluhexafon ,benfuresate ,rimsulfuron ,sulfosulfuron ,buthiuron ,ethidimuron ,ethylicin ,sultropen , ( Total 9 Pesticides) |
5919 ,
592
