| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF02648 | 2-ethyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one |
|
-2.683 | -2.244 | 275.349 | 0.0003 |
Itraconazole , ( Total
1 Medicines )
|
| FDBF03625 | 5-hydroxy-3-methyl-pyrimidin-4-one |
|
-2.671 | 0.450 | 126.113 | 0.0003 |
Raltegravir , ( Total
1 Medicines )
|
| FDBF01627 | N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine |
|
-2.649 | 1.108 | 110.155 | 0.0041 |
Amprenavir ,Probenecid ,Darunavir ,Fosamprenavir ,Pipotiazine ,Thioproperazine ,Thiothixene ,Dimetotiazine , ( Total
8 Medicines )
famphur ,amisulbrom ,cyazofamid ,bupirimate , ( Total 4 Pesticides) |
| FDBF00009 | pyrrole-1-carbaldehyde |
|
-2.635 | 0.750 | 95.099 | 0.0021 |
Goserelin ,Nafarelin ,Icatibant ,Ganirelix ,Histrelin ,Triptorelin , ( Total
6 Medicines )
|
| FDBF02591 | 2-methyl-4H-1,2,4-triazol-3-one |
|
-2.632 | 0.171 | 99.091 | 0.0010 |
Nefazodone ,Posaconazole ,Etoperidone , ( Total
3 Medicines )
|
| FDBF02592 | 4-methyl-1H-1,2,4-triazol-5-one |
|
-2.632 | 0.171 | 99.091 | 0.0003 |
Nefazodone , ( Total
1 Medicines )
|
| 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) |
| FDBF02924 | N-(dihydroxy-λ3-sulfanyl)-N-methyl-ethanamine |
|
-2.564 | 0.684 | 124.182 | 0.0003 |
Fosamprenavir , ( Total
1 Medicines )
|
| FDBF01562 | fluorophosphonic acid |
|
-2.536 | 1.052 | 99.986 | 0.0003 |
Isoflurophate , ( Total
1 Medicines )
|
| FDBF02593 | 2-ethyl-4H-1,2,4-triazol-3-one |
|
-2.523 | -0.256 | 113.118 | 0.0010 |
Nefazodone ,Itraconazole ,Etoperidone , ( Total
3 Medicines )
|
5919 ,
592
