| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF03266 | (2S)-2-(2,2-dichlorovinyl)-1,1-dimethyl-cyclopropane |
|
2.983 | -2.556 | 165.060 | 0.0017 |
Permethrin , ( Total
1 Medicines )
chlorempenthrin ,d-fanshiluquebingjuzhi ,chloroprallethrin ,pentmethrin , ( Total 4 Pesticides) |
| FDBF01824 | 5-methyl-3-phenyl-pyridazine |
|
2.981 | -3.491 | 170.210 | 0.0003 |
Minaprine , ( Total
1 Medicines )
|
| FDBF02520 | 1-methylisoquinoline |
|
2.981 | -3.155 | 143.185 | 0.0003 |
Papaverine , ( Total
1 Medicines )
|
| FDBF03456 | 8-methylquinoline |
|
2.981 | -3.155 | 143.185 | 0.0003 |
Simeprevir , ( Total
1 Medicines )
|
| FDBF05443 | 2-methylquinoline |
|
2.981 | -3.155 | 143.185 | 0.0003 | quinothion , ( Total 1 Pesticides) |
| FDBF03544 | 4-[(1-hydroxycyclohexyl)methyl]phenol |
|
2.978 | -2.708 | 206.281 | 0.0003 |
Desvenlafaxine , ( Total
1 Medicines )
|
| FDBF00662 | (8S,9S,10R,13S,14S,17S)-17-hydroxy-11-methylene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
|
2.977 | -2.663 | 272.382 | 0.0003 |
Etonogestrel , ( Total
1 Medicines )
|
| FDBF03735 | (E,2S)-4-(3-quinolyl)but-3-en-2-ol |
|
2.977 | -2.748 | 199.248 | 0.0003 |
Pitavastatin , ( Total
1 Medicines )
|
| FDBF01061 | (6aR,10aR)-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one |
|
2.975 | -3.244 | 246.302 | 0.0003 |
Nabilone , ( Total
1 Medicines )
|
| FDBF02363 | 5-methoxy-3-methyl-1H-indole |
|
2.975 | -3.182 | 161.200 | 0.0003 |
Melatonin , ( Total
1 Medicines )
|
5919 ,
592
