LigandBoxID:D00698

NAME:Aprobarbital;Alurate
SMILES: C=CCC1(C(NC(NC1=O)=O)=O)C(C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00698

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H14N2O3 210.233 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.4225 -10.4792
LOGS LOGP    
-3.5099 0.3390    

Links to the same SMILES compounds

LIGANDBOX C07826 HTS1610-00282542
CHEMBL CHEMBL7863
ZINC ZINC18167382
PUBCHEM 202220 23616248 24191231 6464


[Back to top page]