LigandBoxID:D08035

NAME:Haloperidol lactate;Haldol
SMILES: CC(C(OC3(c2ccc(cc2)[Cl])CCN(CC3)CCCC(c1ccc(cc1)F)=O)=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08035

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H28NO4FCl 448.942 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -3.7311 -12.3012
LOGS LOGP    
-4.8733 4.3183    

Links to the same SMILES compounds

CHEMBL CHEMBL1200867
PUBCHEM 88144


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