LigandBoxID:KSH2016-02246657-01

SMILES: FC(Cn1nc(cc1C)N)F

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS122-2452908

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H9N3F2 161.155 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 1.0487 -8.5470
LOGS LOGP    
-0.6892 1.6872    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00245597
ZINC ZINC12395182
PUBCHEM 19622837

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-00177572

[Back to top page]