LigandBoxID:HTS1710-04536630-01

SMILES: FC(COc2cccc(n2)NC(c1onc(c1)C)=O)F

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-020028208-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H11N3O3F2 283.234 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.8956 -9.2761
LOGS LOGP    
-2.925 1.516    

Links to the same SMILES compounds

PUBCHEM 84595240

Links to the another version LigandBox compounds (same SMILES)

201610_2 HTS1610-06654307 KSH2016-03322694

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