ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
---|---|---|---|---|---|---|---|
FDBF00162 | trifluoromethylbenzene |
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2.829 | -2.504 | 146.110 | 0.0172 |
Fluvoxamine ,Travoprost ,Fluoxetine ,Aprepitant ,Cinacalcet ,Leflunomide ,Dutasteride ,Dexfenfluramine ,Ridogrel ,Antrafenine , ( Total
22 Medicines )
penfluron ,triflumezopyrim ,hydramethylnon ,diflufenican ,flufenican ,picolinafen ,benzofluor ,penoxsulam ,isoxaflutole ,flumezin , ( Total 28 Pesticides) |
FDBF00161 | N-benzylhydroxylamine |
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0.308 | -1.476 | 123.152 | 0.0007 |
Fluvoxamine ,Ridogrel , ( Total
2 Medicines )
|
FDBF00160 | N-ethylhydroxylamine |
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-1.412 | 0.023 | 61.083 | 0.0007 |
Fluvoxamine ,Oxiconazole , ( Total
2 Medicines )
|
FDBF00159 | N-methoxymethanamine |
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-0.305 | -0.282 | 62.091 | 0.0010 |
Fluvoxamine ,Oxiconazole ,Ridogrel , ( Total
3 Medicines )
|
FDBF00158 | methoxymethane |
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-0.166 | -0.169 | 46.068 | 0.0374 |
Fluvoxamine ,Betaxolol ,Metoprolol ,Cidofovir ,Amlodipine ,Nimodipine ,Erlotinib ,Chlormerodrin ,Gadoversetamide ,Hydroxyzine , ( Total
58 Medicines )
cloethocarb ,amidithion ,dimefluthrin ,heptafluthrin ,methothrin ,metofluthrin ,epsilon-metofluthrin ,momfluorothrin ,epsilon-momfluorothrin ,renofluthrin , ( Total 51 Pesticides) |
FDBF00157 | [(1S,3S,7R,8aR)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
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0.992 | -0.525 | 208.254 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
FDBF00156 | (3R)-pentane-1,3-diol |
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0.199 | -0.308 | 104.148 | 0.0007 |
Pravastatin ,Atorvastatin , ( Total
2 Medicines )
|
FDBF00155 | (3R)-butane-1,3-diol |
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-0.191 | 0.122 | 90.121 | 0.0007 |
Pravastatin ,Atorvastatin , ( Total
2 Medicines )
|
FDBF00154 | (2S)-butan-2-ol |
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0.266 | -0.399 | 74.122 | 0.0034 |
Pravastatin ,Treprostinil ,Carboprost Tromethamine ,Ritonavir ,Latanoprost ,Atazanavir ,Atorvastatin ,Lopinavir , ( Total
8 Medicines )
cyproconazole ,hexaconazole , ( Total 2 Pesticides) |
FDBF00153 | [(1S,3S,7S,8S,8aR)-3-hydroxy-7,8-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
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1.663 | -1.473 | 250.333 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
5919 ,
592