| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF01505 | methanesulfonic acid |
|
0.015 | 0.469 | 96.106 | 0.0038 |
Acamprosate ,Busulfan ,Hydroxystilbamidine Isethionate ,Ergoloid mesylate ,Colistimethate ,Cefonicid ,Tauroursodeoxycholic acid ,Dimetotiazine ,Mesna , ( Total
9 Medicines )
jiahuangchongzong ,ethofumesate , ( Total 2 Pesticides) |
| FDBF00624 | (2R)-but-3-ene-1,2-diol |
|
-0.199 | 0.472 | 88.105 | 0.0003 |
Travoprost , ( Total
1 Medicines )
|
| FDBF05025 | N-methylidenehydroxylamine |
|
0.243 | 0.476 | 45.041 | 0.0017 | flucycloxuron ,sulfoxime ,thiofluoximate ,bromofenoxim ,picarbutrazox , ( Total 5 Pesticides) |
| FDBF00178 | N-methylhydroxylamine |
|
-1.317 | 0.478 | 47.056 | 0.0010 |
Fluvoxamine ,Oxiconazole ,Ridogrel , ( Total
3 Medicines )
|
| FDBF00273 | (2S,3S,6R)-6-methyltetrahydropyran-2,3-diol |
|
0.061 | 0.481 | 132.158 | 0.0007 |
Erythromycin ,Roxithromycin , ( Total
2 Medicines )
|
| FDBF00299 | (2S,3R,6S)-6-methyltetrahydropyran-2,3-diol |
|
0.061 | 0.481 | 132.158 | 0.0007 |
Azithromycin ,Dirithromycin , ( Total
2 Medicines )
|
| FDBF00608 | (3S,4S,6R)-6-methyltetrahydropyran-3,4-diol |
|
0.061 | 0.481 | 132.158 | 0.0003 |
Acarbose , ( Total
1 Medicines )
|
| FDBF00841 | (2R,5S,6R)-6-methyltetrahydropyran-2,5-diol |
|
0.061 | 0.481 | 132.158 | 0.0010 |
Valrubicin ,Ivermectin ,Plicamycin , ( Total
3 Medicines )
|
| FDBF00850 | (2R,4R,6R)-6-methyltetrahydropyran-2,4-diol |
|
0.061 | 0.481 | 132.158 | 0.0014 |
Digoxin ,Acetyldigitoxin ,Deslanoside ,Digitoxin , ( Total
4 Medicines )
|
| FDBF00851 | (2R,3S,4S)-2-methyltetrahydropyran-3,4-diol |
|
0.061 | 0.481 | 132.158 | 0.0014 |
Digoxin ,Acetyldigitoxin ,Digitoxin ,Plicamycin , ( Total
4 Medicines )
|
5919 ,
592
