LigandBoxID:D01332

NAME:Ketotifen fumarate;Zaditen
SMILES: CN1CCC(=C4c2ccccc2CC(c3sccc43)=O)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01332

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H20NOS 310.440 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.8921 -11.9024
LOGS LOGP    
-5.1033 2.1574    

Links to the same SMILES compounds

LIGANDBOX D08105 HTS1610-00108224 HTS1610-00108225 HTS1610-00108226 HTS1610-00108227
KSH2016-00574273 KSH2016-01688974
CHEMBL CHEMBL1633 CHEMBL1885671 CHEMBL534
ZINC ZINC00004351
PUBCHEM 11377316 11639319 21158561 21918842 23498226
25142451 25142452 25142577 25144537 25144538 25144680
36856 3827 44462793 45479747 46220526 46842592
46842593 46842594 46842595 46842596 46842635 46842636
46842637 46842638 46842639 46842680 46842681 46842682
46842683 46842684 46842723 46842724 46842725 46842726
46842727 46842756 46842757 46842758 46842759 46842760
46842784 46842785 46842786 46842787 5243870 5282408
59373842 59373844 9842280 9915526


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