LigandBoxID:D02253

NAME:Pentobarbital calcium;Ravona
SMILES: CCCC(C1(C(NC(=NC1=O)O)=O)CC)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02253

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H17N2O3 225.268 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 2 4.1383 -4.7065
LOGS LOGP    
$$$$ 2.0623    

Links to the same SMILES compounds

LIGANDBOX C07423 D00500 HTS1610-00353070 HTS1610-00353071


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