| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF01916 | but-1-en-3-yne |
|
0.713 | -0.206 | 52.075 | 0.0003 |
Terbinafine , ( Total
1 Medicines )
|
| FDBF03739 | prop-2-enenitrile |
|
0.157 | -0.213 | 53.063 | 0.0007 |
Rilpivirine , ( Total
1 Medicines )
acrylonitrile , ( Total 1 Pesticides) |
| FDBF01038 | but-1-yne |
|
0.722 | -0.560 | 54.090 | 0.0021 |
Methohexital ,Pralatrexate , ( Total
2 Medicines )
prynachlor ,chlorbufam ,flumipropyn ,buturon , ( Total 4 Pesticides) |
| FDBF02462 | but-2-yne |
|
0.567 | -0.542 | 54.090 | 0.0007 |
Iloprost ,Linagliptin , ( Total
2 Medicines )
|
| FDBF05383 | buta-1,3-diene |
|
0.876 | -0.577 | 54.090 | 0.0007 | pyrethrin I ,pyrethrin II , ( Total 2 Pesticides) |
| FDBF01513 | propanenitrile |
|
0.165 | -0.567 | 55.078 | 0.0048 |
Verapamil ,Diphenoxylate ,Difenoxin ,Fenproporex ,Cinolazepam ,Ruxolitinib ,Isoaminile , ( Total
7 Medicines )
nitrilacarb ,thiocarboxime ,cypendazole ,fenbuconazole ,myclobutanil ,fenapanil ,bromothalonil , ( Total 7 Pesticides) |
| FDBF02360 | prop-2-yn-1-amine |
|
-0.372 | 0.183 | 55.079 | 0.0007 |
Oxybutynin ,Rasagiline , ( Total
2 Medicines )
|
| FDBF02002 | prop-2-enal |
|
0.337 | -0.087 | 56.063 | 0.0007 |
Ethacrynic acid , ( Total
1 Medicines )
acrolein , ( Total 1 Pesticides) |
| FDBF05674 | prop-2-yn-1-ol |
|
-0.133 | 0.395 | 56.063 | 0.0010 | oxadiargyl ,azafenidin ,mandipropamid , ( Total 3 Pesticides) |
| FDBF04197 | methylcyanamide |
|
-0.681 | -0.217 | 56.067 | 0.0003 |
Calcium carbimide , ( Total
1 Medicines )
|
5919 ,
592
