LigandBoxID:HTS1610-01789493-01

SMILES: CCOc3ccc(C=C2SC(=Nc1ccccc1F)NC2=O)cc3OC

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-012306997-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H17N2O3FS 372.419 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.4438 -8.4302
LOGS LOGP    
-6.0927 3.2192    

Links to the same SMILES compounds

LIGANDBOX HTS1610-01789492
ZINC ZINC05376543

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