LigandBoxID:D00131

NAME:Disulfiram;Antabuse
SMILES: CCN(C(SSC(N(CC)CC)=S)=S)CC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00131

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H20N2S4 296.544 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -2.1427 -8.2818
LOGS LOGP    
-8.5446 1.7527    

Links to the same SMILES compounds

LIGANDBOX C01692 HTS1610-00230839 KSH2016-00066335
CHEMBL CHEMBL1705977 CHEMBL1710991 CHEMBL964
ZINC ZINC01529266
PUBCHEM 21714101 3117 46781408 492404 52921699
52921700 9820242


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