LigandBoxID:D00136

NAME:Haloperidol;Haldol
SMILES: Fc1ccc(C(CCCN3CCC(c2ccc(cc2)[Cl])(CC3)O)=O)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00136

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H24NO2FCl 376.879 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.9722 -12.2586
LOGS LOGP    
-4.5633 4.4905    

Links to the same SMILES compounds

LIGANDBOX C01814 HTS1610-00000393 KSH2016-01633369
CHEMBL CHEMBL1160253 CHEMBL54 CHEMBL545608
ZINC ZINC00537822
PUBCHEM 11495267 11650543 11671377 11679148 11947799
11993758 16051968 16051970 16747586 18787841 19795516
21116369 24871514 3559 44271841 44299546 450206
45039377 45358996 46905356 53248988 54705137 6956324
9808700 9828220 9829539 9830472 9874763 9892213
9918676 9961003


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