LigandBoxID:D02447

SMILES: OC(CCC(Nc2ccc(S(Nc1sccn1)(=O)=O)cc2)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02447

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H12N3O5S2 354.385 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -0.2252 -4.7138
LOGS LOGP    
-3.5044 0.0256    

Links to the same SMILES compounds

LIGANDBOX C11745 D07060 HTS1306-00773363
CHEMBL CHEMBL1484857
ZINC ZINC01532343
PUBCHEM 10389403 24846207 4083112 44154678 5315
8308


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