| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF01877 | prop-1-yne |
|
0.279 | -0.097 | 40.064 | 0.0082 |
Mifepristone ,Selegiline ,Oxybutynin ,Iloprost ,Rasagiline ,Pargyline ,Pralatrexate ,Linagliptin , ( Total
8 Medicines )
kinoprene ,d-fanshiluquebingjuzhi ,chloroprallethrin ,furamethrin ,imiprothrin ,prallethrin ,proparthrin ,barban ,flumioxazin ,pyraclonil , ( Total 16 Pesticides) |
| FDBF00569 | acetonitrile |
|
-0.188 | -0.105 | 41.052 | 0.0161 |
Cefmetazole ,Verapamil ,Diphenoxylate ,Cefacetrile ,Difenoxin ,Fenproporex ,Cinolazepam ,Estradiol valerate/Dienogest ,Ruxolitinib ,Tofacitinib , ( Total
12 Medicines )
nitrilacarb ,thiocarboxime ,acrinathrin ,brofenvalerate ,brofluthrinate ,cycloprothrin ,cyfluthrin ,cyhalothrin ,gamma-cyhalothrin ,lambda-cyhalothrin , ( Total 35 Pesticides) |
| FDBF01117 | cyanamide |
|
-0.654 | 0.636 | 42.040 | 0.0010 |
Cimetidine , ( Total
1 Medicines )
cyanamide ,methylmercury dicyandiamide , ( Total 2 Pesticides) |
| FDBF00022 | prop-1-ene |
|
0.442 | -0.470 | 42.080 | 0.0299 |
Cyclosporine ,Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Butalbital ,Cabergoline ,Travoprost ,Talbutal ,Pimecrolimus ,Secobarbital , ( Total
49 Medicines )
allicin ,d-limonene ,cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,rotenone ,allyxycarb ,copper oleate , ( Total 38 Pesticides) |
| FDBF00259 | cyclopropane |
|
1.949 | -0.466 | 42.080 | 0.0175 |
Betaxolol ,Remikiren ,Moxifloxacin ,Nevirapine ,Montelukast ,Ciprofloxacin ,Efavirenz ,Naltrexone ,Buprenorphine ,Gatifloxacin , ( Total
36 Medicines )
cyclaniliprole ,cyromazine ,flucycloxuron ,dicyclanil ,protrifenbute ,afidopyropen ,cyprazole ,isoxachlortole ,isoxaflutole ,profluralin , ( Total 15 Pesticides) |
| FDBF06412 | cyanic acid |
|
-0.415 | 0.848 | 43.025 | 0.0003 | potassium cyanate , ( Total 1 Pesticides) |
| FDBF03156 | aziridine |
|
1.982 | -0.243 | 43.068 | 0.0003 |
Thiotepa , ( Total
1 Medicines )
|
| FDBF03589 | N-methylmethanimine |
|
0.471 | -0.477 | 43.068 | 0.0014 |
Ganirelix , ( Total
1 Medicines )
semiamitraz ,clothianidin ,dinotefuran , ( Total 3 Pesticides) |
| FDBF04706 | ethanimine |
|
0.122 | -0.121 | 43.068 | 0.0024 | butocarboxim ,butoxycarboxim ,methomyl ,thiocarboxime ,thiodicarb ,diflufenzopyr ,triflumizole , ( Total 7 Pesticides) |
| FDBF04235 | carbon dioxide |
|
0.089 | 0.506 | 44.010 | 0.0003 |
Carbon dioxide , ( Total
1 Medicines )
|
5919 ,
592
