LigandBoxID:D08691

NAME:Zuclopenthixol acetate;Cisordinol-acutard
SMILES: CC(OCCN1CCN(CC1)CCC=C3c2ccccc2Sc4ccc(cc43)[Cl])=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08691

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H29N2O2SCl 445.026 2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -8.1609 -12.4427
LOGS LOGP    
-5.5406 5.0178    

Links to the same SMILES compounds

ZINC ZINC22011548 ZINC22011548 ZINC30691716 ZINC30691716
PUBCHEM 29944083 54606169 5474911 6436640 92410


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