LigandBoxID:D03180

NAME:Butabarbital;Secbutabarbital
SMILES: CCC(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
D03180

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H16N2O3 212.249 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.3861 -11.2789
LOGS LOGP    
-3.4795 0.4163    

Links to the same SMILES compounds

LIGANDBOX C07827
CHEMBL CHEMBL449
ZINC ZINC00968345 ZINC03651680
PUBCHEM 19872452 23695352 2479 29010899 40463715
45038481


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