| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00090 | 2-methylpentan-2-ol |
|
0.953 | -1.249 | 102.175 | 0.0010 |
Calcitriol ,Calcidiol ,Homoharringtonine , ( Total
3 Medicines )
|
| FDBF00089 | 2-methylbutan-2-ol |
|
0.528 | -0.818 | 88.148 | 0.0024 |
Calcitriol ,Calcidiol ,Paricalcitol ,Misoprostol ,Homoharringtonine , ( Total
5 Medicines )
α-ecdysone ,ecdysterone , ( Total 2 Pesticides) |
| FDBF00088 | p-cresol |
|
1.874 | -1.538 | 108.138 | 0.0134 |
L-Tyrosine ,Esmolol ,Betaxolol ,Metoprolol ,Atenolol ,Rosiglitazone ,Cefpiramide ,Bisoprolol ,Trimethobenzamide ,Metyrosine , ( Total
34 Medicines )
tolfenpyrad ,flufenprox ,flufenerim ,mandipropamid ,diflumetorim , ( Total 5 Pesticides) |
| FDBF00087 | (Z)-hept-2-ene |
|
2.043 | -1.876 | 98.186 | 0.0010 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid , ( Total
2 Medicines )
copper oleate , ( Total 1 Pesticides) |
| FDBF00086 | hexane |
|
1.780 | -2.167 | 86.175 | 0.0151 |
Alpha-Linolenic Acid ,Ibutilide ,Mupirocin ,Sodium Tetradecyl Sulfate ,Nabilone ,Sodium lauryl sulfate ,Misoprostol ,Salmeterol ,Hexafluronium ,Demecarium , ( Total
27 Medicines )
copper oleate ,EBEP ,pyridate ,pelargonic acid ,dodicin ,dodine ,meptyldinocap ,dinosulfon ,glyodin ,aldimorph , ( Total 17 Pesticides) |
| FDBF00085 | hex-1-ene |
|
1.771 | -1.817 | 84.159 | 0.0024 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Oleic Acid ,Ethanolamine Oleate ,Capsaicin ,Zucapsaicin , ( Total
6 Medicines )
copper oleate , ( Total 1 Pesticides) |
| FDBF00084 | (2Z,5Z)-octa-2,5-diene |
|
2.307 | -1.581 | 110.197 | 0.0014 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Icosapent ethyl , ( Total
4 Medicines )
|
| FDBF00083 | (2Z,5Z)-hepta-2,5-diene |
|
1.864 | -1.153 | 96.170 | 0.0014 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Icosapent ethyl , ( Total
4 Medicines )
|
| FDBF00082 | (Z)-hex-2-ene |
|
1.600 | -1.443 | 84.159 | 0.0027 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Travoprost ,Latanoprost ,Bimatoprost ,Tafluprost ,Icosapent ethyl , ( Total
7 Medicines )
copper oleate , ( Total 1 Pesticides) |
| FDBF00081 | pentane |
|
1.336 | -1.729 | 72.149 | 0.0316 |
Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Vitamin E ,Cholecalciferol ,Oseltamivir ,Ibutilide ,Pentobarbital ,Anidulafungin ,Meprobamate ,Treprostinil , ( Total
63 Medicines )
bufencarb ,dinosam ,copper oleate ,epofenonane ,hydroprene ,kinoprene ,methoprene ,triprene ,pendimethalin ,dinosam , ( Total 29 Pesticides) |
5919 ,
592
