LigandBoxID:D03276

NAME:Profenamine hibenzate;Parkin
SMILES: CCN(C(CN3c1ccccc1Sc2ccccc32)C)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03276

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H25N2S 313.488 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -4.0078 -10.4380
LOGS LOGP    
-8.1315 5.2326    

Links to the same SMILES compounds

LIGANDBOX D01118 D08426
CHEMBL CHEMBL1200970 CHEMBL1206 CHEMBL1494883
ZINC ZINC00004227 ZINC00056651
PUBCHEM 11954330 122824 17903272 22392483 23615719
24187364 248027 3290 57515103 667534 688098
6919063 6921598


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