LigandBoxID:D00512

SMILES: OC3=NC(C(c1ccccc1)(c2ccccc2)N3)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00512

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H12N2O2 252.273 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.0142 -9.8547
LOGS LOGP    
-3.9354 3.3386    

Links to the same SMILES compounds

LIGANDBOX C07443 D02103
CHEMBL CHEMBL1611


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