LigandBoxID:D02535

NAME:Timepidium bromide hydrate;Sesden
SMILES: COC3CN(CC(=C(c1cccs1)c2cccs2)C3)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02535

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H22NOS2 320.499 1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -3.7437 -11.6611
LOGS LOGP    
1.2756 -0.6338    

Links to the same SMILES compounds

LIGANDBOX C12768
CHEMBL CHEMBL1865135
ZINC ZINC00000776 ZINC03831544
PUBCHEM 11954250 160243 25271734 40467243 5476


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