LigandBoxID:D00592

NAME:Diaphenylsulfone;Dapsone;Aczone
SMILES: Nc1ccc(S(c2ccc(cc2)N)(=O)=O)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00592

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H12N2O2S 248.305 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -1.1417 -9.1404
LOGS LOGP    
-3.0580 2.0624    

Links to the same SMILES compounds

LIGANDBOX C07666 HTS1610-00158411 KSH2016-00022487
CHEMBL CHEMBL1043
ZINC ZINC00006310
PUBCHEM 11128937 11172798 11817608 19785725 21329648
23624142 24833766 2955 3000619 3037188 3080915
44189334 457603 457720 457721 487107 504063
506593 9909548


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