LigandBoxID:D00495

NAME:Paramethadione;Paradione
SMILES: CCC1(OC(N(C1=O)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00495

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C7H11NO3 157.169 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 0.0293 -11.0328
LOGS LOGP    
-1.7762 -0.0761    

Links to the same SMILES compounds

LIGANDBOX C07411 HTS1610-00283802 HTS1610-00283803
ZINC ZINC01530771 ZINC01530772


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