LigandBoxID:D08054

NAME:Hydroxyzine;Marex
SMILES: OCCOCCN2CCN(C(c3ccc(cc3)[Cl])c1ccccc1)CC2

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08054

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H29N2O2Cl 376.928 2 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -7.6786 -14.9913
LOGS LOGP    
-3.1365 3.6002    

Links to the same SMILES compounds

LIGANDBOX C07045 D00672 HTS1610-00163409 HTS1610-00163410 HTS1610-00163411
HTS1610-00163412 KSH2016-03830297
CHEMBL CHEMBL1201007 CHEMBL1513166 CHEMBL896
ZINC ZINC19364222 ZINC19364224
PUBCHEM 11216864 1548974 1548976 188236 189184
19933782 21116472 21125531 24883432 28145924 28145925
3658 44153439 45039540 49951526 53313242 57356104
657362 71612 91513 9962464


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