LigandBoxID:D00365

NAME:Lorazepam;Ativan
SMILES: [Cl]c1ccc3NC(C(N=C(c3c1)c2ccccc2[Cl])O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00365

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H10N2O2Cl2 321.163 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -1.0154 -9.8886
LOGS LOGP    
-4.9891 3.4564    

Links to the same SMILES compounds

CHEMBL CHEMBL249262 CHEMBL399057 CHEMBL580
ZINC ZINC00000431 ZINC00896595
PUBCHEM 11609501 12049213 12049214 18318790 18318791
18318792 20979990 23617880 3082954 3958 9919933
9962371


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