LigandBoxID:D00430

NAME:Secobarbital;Seconal
SMILES: CCCC(C1(C(NC(NC1=O)=O)=O)CC=C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00430

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H18N2O3 238.287 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.4610 -10.3861
LOGS LOGP    
-4.4393 0.9387    

Links to the same SMILES compounds

LIGANDBOX D01310
ZINC ZINC02005550 ZINC03874950
PUBCHEM 14148199 16086654 16219971 21155378 23620836
23620837 30019 31143 5193 53472071


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