LigandBoxID:D00539

NAME:Ethosuximide;Zarontin
SMILES: CCC1(CC(NC1=O)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00539

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C7H11NO2 141.170 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 0.0963 -11.0557
LOGS LOGP    
-1.3595 0.3432    

Links to the same SMILES compounds

LIGANDBOX C07505 HTS1610-00000301 HTS1610-00000302
CHEMBL CHEMBL1489918 CHEMBL696
ZINC ZINC01530805 ZINC01530806
PUBCHEM 10630591 19594453 23317136 23317141 3291
6603844


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