LigandBoxID:D00457

NAME:Quazepam;Doral
SMILES: FC(CN2C(CN=C(c3cc(ccc32)[Cl])c1ccccc1F)=S)(F)F

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00457

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H11N2F4SCl 386.799 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -1.4478 -8.7364
LOGS LOGP    
-7.3954 4.6753    

Links to the same SMILES compounds

LIGANDBOX C07336
CHEMBL CHEMBL1200472
PUBCHEM 4999


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