LigandBoxID:D01605

SMILES: Cc1cc2CCCS(c2cc1S(=O)(=O)N)(=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01605

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H13NO4S2 275.347 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.6180 -11.0541
LOGS LOGP    
-1.7732 1.1427    

Links to the same SMILES compounds

CHEMBL CHEMBL1318341
ZINC ZINC00001718
PUBCHEM 4165


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