LigandBoxID:D03929

SMILES: CC(SCC(C(NCC(OCc1ccccc1)=O)=O)Cc2ccccc2)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03929

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H23NO4S 385.483 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.3071 -9.3978
LOGS LOGP    
-3.7457 3.9996    

Links to the same SMILES compounds

LIGANDBOX D08464
CHEMBL CHEMBL1516410
ZINC ZINC01546843 ZINC01546844
PUBCHEM 107751 11216080 3086546 60561 9875218


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