LigandBoxID:HTS1610-07177047-01

SMILES: CC(Nc1ccn2ncc(c2c1)C(NCC(F)(F)F)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-020388794-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H11N4O2F3 300.240 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.6457 -8.8368
LOGS LOGP    
-2.4504 1.4408    

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-04819762

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