| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00355 | cyclohexane |
|
2.633 | -1.436 | 84.159 | 0.0127 |
Remikiren ,Hexylcaine ,Fosinopril ,Nateglinide ,Dicyclomine ,Gabapentin ,Glyburide ,Ethinamate ,Praziquantel ,Glipizide , ( Total
27 Medicines )
dinex ,doramectin ,selamectin ,fentrazamide ,cycloate ,hexazinone ,lenacil ,cyclafuramid ,furmecyclox ,hexylthiofos , ( Total 10 Pesticides) |
| FDBF00061 | butyric acid |
|
0.133 | -0.349 | 88.105 | 0.0131 |
Biotin ,Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Icosapent ,Lipoic Acid ,Pregabalin ,Chlorambucil ,Mupirocin ,Carboprost Tromethamine ,Aminocaproic Acid , ( Total
29 Medicines )
copper oleate ,butonate ,4-CPB ,2,4-DB ,3,4-DB ,MCPB ,2,4,5-TB ,pelargonic acid ,pentachlorophenyl laurate , ( Total 9 Pesticides) |
| FDBF01488 | 2-methylprop-1-ene |
|
0.730 | -0.913 | 56.106 | 0.0131 |
Pentazocine ,Mycophenolate mofetil ,Phylloquinone ,Mycophenolic acid ,Novobiocin ,Fusidic Acid ,Isometheptene , ( Total
7 Medicines )
cinerins ,cinerin I ,jasmolin I ,pyrethrin I ,juvenile hormone II ,juvenile hormone III ,tetramethrin ,flufiprole ,allethrin ,bioallethrin , ( Total 31 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) |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
0.237 | -1.084 | 87.163 | 0.0134 |
Dofetilide ,Oxyphenonium ,Lidocaine ,Ibutilide ,Cinchocaine ,Chloroquine ,Amodiaquine ,Verapamil ,Flurazepam ,Ibandronate , ( Total
38 Medicines )
amiton , ( Total 1 Pesticides) |
| FDBF00416 | butan-1-ol |
|
0.437 | -0.772 | 74.122 | 0.0134 |
Isoetarine ,Indinavir ,Methysergide ,Penciclovir ,Ibutilide ,Ethambutol ,Methylergometrine ,Treprostinil ,Ritonavir ,Cinchocaine , ( Total
34 Medicines )
epofenonane ,butachlor ,terbuchlor ,trichlamide ,izopamfos , ( Total 5 Pesticides) |
| FDBF00779 | nitrobenzene |
|
0.096 | -1.454 | 123.109 | 0.0134 |
Nitisinone ,Nimodipine ,Nisoldipine ,Chloramphenicol ,Flutamide ,Lercanidipine ,Nicardipine ,Nilutamide ,Nitrendipine ,Nifedipine , ( Total
21 Medicines )
parathion ,parathion-methyl ,EPN ,etnipromid ,fomesafen ,halosafen ,mesotrione ,bifenox ,chlomethoxyfen ,chlornitrofen , ( Total 18 Pesticides) |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
-1.347 | 0.885 | 81.114 | 0.0141 |
Remikiren ,Eletriptan ,Sumatriptan ,Tirofiban ,Tinidazole ,Almotriptan ,Naratriptan ,Busulfan ,Sulfoxone ,Lapatinib , ( Total
15 Medicines )
aldoxycarb ,butoxycarboxim ,flubendiamide ,demeton-S-methylsulphon ,fluhexafon ,jiahuangchongzong ,epronaz ,lancotrione ,mesotrione ,sulcotrione , ( Total 26 Pesticides) |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
0.885 | -0.559 | 114.142 | 0.0141 | tetramethrin ,acrinathrin ,barthrin ,bioethanomethrin ,bromethrin ,butethrin ,cyclethrin ,cyfluthrin ,gamma-cyhalothrin ,cypermethrin , ( Total 41 Pesticides) |
| FDBF00502 | m-xylene |
|
2.831 | -2.497 | 106.165 | 0.0144 |
Ranolazine ,Lidocaine ,Ropivacaine ,Bupivacaine ,Mexiletine ,Metaxalone ,Meclizine ,Mepivacaine ,Levobupivacaine ,Tocainide , ( Total
17 Medicines )
allyxycarb ,methiocarb ,mexacarbate ,XMC ,amitraz ,medimeform ,semiamitraz ,chromafenozide ,furan tebufenozide ,methoxyfenozide , ( Total 25 Pesticides) |
5919 ,
592
