LigandBoxID:D01316

NAME:Mexazolam;Melex
SMILES: O=C1Nc3ccc(cc3C4(c2ccccc2[Cl])OCC(N4C1)C)[Cl]

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01316

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H17N2O2Cl2 364.252 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 3 -4.2953 -12.8834
LOGS LOGP    
-4.8286 4.2922    

Links to the same SMILES compounds

CHEMBL CHEMBL1743261
PUBCHEM 4177


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