LigandBoxID:D00414

NAME:Zileuton;Zyflo
SMILES: NC(N(C(c1cc2ccccc2s1)C)O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00414

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H12N2O2S 236.294 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -0.2926 -8.6400
LOGS LOGP    
-3.4724 2.8078    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00128009 HTS1610-00128010 KSH2016-00019796
CHEMBL CHEMBL1164975 CHEMBL1743359 CHEMBL93
ZINC ZINC00000850 ZINC00896731
PUBCHEM 10220327 10681296 19846307 60490


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