LigandBoxID:D00700

NAME:Mephobarbital;Methylphenobarbital;Mebaral
SMILES: CCC2(c1ccccc1)C(NC(N(C2=O)C)=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00700

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H14N2O3 246.266 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.3412 -10.2655
LOGS LOGP    
-4.2397 2.0991    

Links to the same SMILES compounds

LIGANDBOX C07829
CHEMBL CHEMBL253331 CHEMBL399103 CHEMBL45029
ZINC ZINC08766756 ZINC08766760
PUBCHEM 6451435 667501 8271


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