| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
-1.571 | 0.803 | 96.129 | 0.0038 |
Argatroban ,Sumatriptan ,Amprenavir ,Naratriptan ,Probenecid ,Darunavir ,Fosamprenavir ,Udenafil , ( Total
8 Medicines )
flursulamid ,triafamone ,bensulide , ( Total 3 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) |
| FDBF06412 | cyanic acid |
|
-0.415 | 0.848 | 43.025 | 0.0003 | potassium cyanate , ( Total 1 Pesticides) |
| FDBF05990 | (E,4S)-4-hydroxypent-2-enoic acid |
|
-0.311 | 0.850 | 116.115 | 0.0003 | difenopenten , ( Total 1 Pesticides) |
| FDBF01724 | N-hydroxyformamide |
|
-0.459 | 0.866 | 61.040 | 0.0010 |
Deferoxamine ,Marimastat ,Vorinostat , ( Total
3 Medicines )
|
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
-1.347 | 0.885 | 81.114 | 0.0141 |
Remikiren ,Eletriptan ,Sumatriptan ,Tirofiban ,Tinidazole ,Almotriptan ,Naratriptan ,Busulfan ,Sulfoxone ,Lapatinib , ( Total
15 Medicines )
aldoxycarb ,butoxycarboxim ,flubendiamide ,demeton-S-methylsulphon ,fluhexafon ,jiahuangchongzong ,epronaz ,lancotrione ,mesotrione ,sulcotrione , ( Total 26 Pesticides) |
| FDBF03291 | 3-hydroxyazetidine-1-carbaldehyde |
|
-0.314 | 0.888 | 101.104 | 0.0003 |
Cobimetinib , ( Total
1 Medicines )
|
| FDBF01073 | methylphosphonous acid |
|
0.522 | 0.892 | 80.023 | 0.0021 |
Fosinopril ,Tenofovir alafenamide , ( Total
2 Medicines )
bilanafos ,EBEP ,glufosinate ,glufosinate-P , ( Total 4 Pesticides) |
| FDBF03607 | (2R,3R)-2,3-dihydroxybutanal |
|
-0.511 | 0.909 | 104.105 | 0.0003 |
Plicamycin , ( Total
1 Medicines )
|
| FDBF04806 | (E)-3-hydroxybut-2-enoic acid |
|
-0.657 | 0.920 | 102.089 | 0.0007 | crotoxyphos ,propetamphos , ( Total 2 Pesticides) |
5919 ,
592
