LigandBoxID:D00454

NAME:Olanzapine;Zyprexa
SMILES: CN1CCN(C4=Nc2ccccc2Nc3sc(cc43)C)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00454

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H21N4S 313.448 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.8449 -10.3150
LOGS LOGP    
-3.5685 3.1729    

Links to the same SMILES compounds

LIGANDBOX C07322 HTS1610-00127736 KSH2016-00037885
CHEMBL CHEMBL715
ZINC ZINC19632674 ZINC52957434
PUBCHEM 25144104 25144936 49780679 49782686


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