LigandBoxID:D00693

NAME:Chlordiazepoxide hydrochloride;Librium
SMILES: CNC=2CN(=C(c3cc(ccc3N=2)[Cl])c1ccccc1)O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00693

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H14N3OCl 299.761 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -1.4437 -8.2311
LOGS LOGP    
-4.2193 2.8547    

Links to the same SMILES compounds

LIGANDBOX D00267
CHEMBL CHEMBL1200703 CHEMBL451
ZINC ZINC19632917 ZINC33487706
PUBCHEM 3000262


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