ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
---|---|---|---|---|---|---|---|
FDBF00049 | N-methylaniline |
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1.572 | -2.011 | 107.153 | 0.0076 |
Tetrahydrofolic acid ,Folic Acid ,Chlorambucil ,Methotrexate ,Leucovorin ,Melphalan ,Sulfoxone ,Trimetrexate ,Bepridil ,Aprindine , ( Total
17 Medicines )
cambendichlor ,pyribambenz-isopropyl ,pyribambenz-propyl ,methyldymron ,aureofungin , ( Total 5 Pesticides) |
FDBF00048 | benzamide |
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0.998 | -1.182 | 121.137 | 0.0117 |
Tetrahydrofolic acid ,Folic Acid ,Anidulafungin ,Sulpiride ,Methotrexate ,Imatinib ,Pemetrexed ,Leucovorin ,Trimethobenzamide ,Conivaptan , ( Total
24 Medicines )
halofenozide ,tebufenozide ,isoxaben ,etobenzanid ,benzoylprop ,flamprop ,flamprop-M ,fluopyram ,saijunmao ,benquinox , ( Total 10 Pesticides) |
FDBF00047 | propionic acid |
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-0.220 | 0.088 | 74.079 | 0.0395 |
Tetrahydrofolic acid ,Biotin ,Alpha-Linolenic Acid ,Dihomo-gamma-linolenic acid ,Folic Acid ,Icosapent ,Lipoic Acid ,Baclofen ,Carbidopa ,Pregabalin , ( Total
79 Medicines )
copper oleate ,malathion ,benzoylprop ,flamprop ,flamprop-M ,fenthiaprop ,bilanafos ,4-CPB ,2,4-DB ,3,4-DB , ( Total 36 Pesticides) |
FDBF00046 | aniline |
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1.260 | -1.189 | 93.126 | 0.0247 |
Tetrahydrofolic acid ,Folic Acid ,Dapsone ,Sulfanilamide ,Sulfisoxazole ,Amsacrine ,Chlorambucil ,Aminohippurate ,Aminoglutethimide ,Sulfadiazine , ( Total
61 Medicines )
metaflumizone ,asulam ,cambendichlor ,pyribambenz-isopropyl ,pyribambenz-propyl ,diphenylamine ,famoxadone ,fenamidone ,cyprodinil ,mepanipyrim , ( Total 11 Pesticides) |
FDBF00045 | (3S)-butane-1,3-diol |
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-0.191 | 0.122 | 90.121 | 0.0003 |
Octreotide , ( Total
1 Medicines )
|
FDBF00044 | N-[(2S)-2-hydroxypropyl]formamide |
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-0.511 | -0.072 | 103.120 | 0.0010 |
Octreotide ,Atazanavir ,Lanreotide , ( Total
3 Medicines )
|
FDBF00043 | N-(2-hydroxyethyl)formamide |
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-0.649 | -0.015 | 89.093 | 0.0065 |
Octreotide ,Midodrine ,Remikiren ,Nelfinavir ,Methysergide ,Methylergometrine ,Chloramphenicol ,Atazanavir ,Paclitaxel ,Saquinavir , ( Total
18 Medicines )
pretilachlor , ( Total 1 Pesticides) |
FDBF00042 | propan-2-ol |
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-0.132 | 0.047 | 60.095 | 0.0278 |
Octreotide ,Pravastatin ,Esmolol ,Betaxolol ,Fluconazole ,Nelfinavir ,Indinavir ,Ranolazine ,Metoprolol ,Tenofovir , ( Total
57 Medicines )
propoxur ,pyriproxyfen ,ecdysterone ,IPSP ,tebupirimfos ,prothidathion ,propisochlor ,phenisopham ,profoxydim ,bensulide , ( Total 24 Pesticides) |
FDBF00041 | ethanol |
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-0.315 | 0.129 | 46.068 | 0.1474 |
Octreotide ,Choline ,Riboflavin ,Thiamine ,L-Threonine ,Pravastatin ,Esmolol ,Betaxolol ,Fluconazole ,Sildenafil , ( Total
279 Medicines )
epofenonane ,fenoxycarb ,pyriproxyfen ,α-ecdysone ,precocene III ,spinetoram ,acethion ,chlorethoxyfos ,chlormephos ,demephion , ( Total 150 Pesticides) |
FDBF00040 | ethanamine |
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-0.554 | -0.083 | 45.084 | 0.0677 |
Felypressin ,Octreotide ,L-Lysine ,Spermine ,L-Ornithine ,Fluvoxamine ,Ramipril ,Baclofen ,Amphetamine ,Indecainide , ( Total
168 Medicines )
benfuracarb ,alanycarb ,flursulamid ,sulfluramid ,nitenpyram ,amiton ,pirimiphos-ethyl ,pirimiphos-methyl ,pirimetaphos ,phosglycin , ( Total 29 Pesticides) |
5919 ,
592