LigandBoxID:D02771

NAME:Adinazolam mesylate
SMILES: CN(CC2NNC3CN=C(c4cc(ccc4N32)[Cl])c1ccccc1)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02771

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H19N5Cl 352.849 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.3438 -12.5609
LOGS LOGP    
-4.0340 2.4852    

Links to the same SMILES compounds

LIGANDBOX D02770


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