| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00080 | (4Z)-hepta-1,4-diene |
|
2.035 | -1.527 | 96.170 | 0.0014 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Icosapent ethyl , ( Total
4 Medicines )
|
| FDBF00079 | (4Z)-hexa-1,4-diene |
|
1.592 | -1.093 | 82.144 | 0.0014 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Icosapent ethyl , ( Total
4 Medicines )
|
| FDBF00078 | pent-1-ene |
|
1.328 | -1.378 | 70.133 | 0.0041 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Travoprost ,Latanoprost ,Bimatoprost ,Oleic Acid ,Ethanolamine Oleate ,Capsaicin ,Tafluprost ,Icosapent ethyl , ( Total
11 Medicines )
copper oleate , ( Total 1 Pesticides) |
| FDBF00077 | (Z)-pent-2-ene |
|
1.157 | -1.004 | 70.133 | 0.0065 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Travoprost ,Carboprost Tromethamine ,Latanoprost ,Bimatoprost ,Dinoprostone ,Tafluprost ,Icosapent ethyl , ( Total
10 Medicines )
jasmolin I ,jasmolin II ,copper oleate ,juvenile hormone I ,juvenile hormone II ,juvenile hormone III ,chlorempenthrin ,empenthrin ,pentmethrin , ( Total 9 Pesticides) |
| FDBF00076 | penta-1,4-diene |
|
1.319 | -1.027 | 68.117 | 0.0014 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Icosapent ethyl , ( Total
4 Medicines )
|
| FDBF00075 | (Z)-but-2-ene |
|
0.714 | -0.556 | 56.106 | 0.0069 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Travoprost ,Carboprost Tromethamine ,Latanoprost ,Mycophenolate mofetil ,Bimatoprost ,Dinoprostone ,Phylloquinone , ( Total
13 Medicines )
cinerins ,cinerin I ,cinerin II ,copper oleate ,juvenile hormone II ,juvenile hormone III ,butenachlor , ( Total 7 Pesticides) |
| FDBF00074 | but-1-ene |
|
0.885 | -0.930 | 56.106 | 0.0100 |
Alpha-Linolenic Acid ,Ergocalciferol ,Dihomo-gamma-linolenic acid ,Icosapent ,Diethylstilbestrol ,Travoprost ,Carboprost Tromethamine ,Latanoprost ,Tamoxifen ,Bimatoprost , ( Total
24 Medicines )
jasmolin I ,jasmolin II ,copper oleate ,juvenile hormone I ,pefurazoate , ( Total 5 Pesticides) |
| FDBF00073 | N-ethylpropan-1-amine |
|
0.682 | -1.817 | 87.163 | 0.0086 |
Spermine ,Ramipril ,Ropinirole ,Ibutilide ,Ethambutol ,Trandolapril ,Enalapril ,Chloroquine ,Moexipril ,Prilocaine , ( Total
23 Medicines )
dodicin ,spiroxamine , ( Total 2 Pesticides) |
| FDBF00072 | N-methylbutan-1-amine |
|
0.682 | -1.817 | 87.163 | 0.0034 |
Spermine ,Ibutilide ,Salmeterol ,Arbutamine ,Halofantrine ,Fosamprenavir ,Dronedarone ,Lumefantrine ,Hexoprenaline , ( Total
9 Medicines )
dodicin , ( Total 1 Pesticides) |
| FDBF00070 | N-ethylethanamine |
|
0.266 | -1.379 | 73.137 | 0.0240 |
Spermine ,Ramipril ,Gadodiamide ,Lidocaine ,Ibutilide ,Colestipol ,Ethopropazine ,Trandolapril ,Cinchocaine ,Gadoversetamide , ( Total
60 Medicines )
amiton ,pirimiphos-ethyl ,pirimiphos-methyl ,pirimetaphos ,benfluralin ,dinitramine ,chlorazine ,ipazine ,trietazine ,dodicin , ( Total 10 Pesticides) |
5919 ,
592
