LigandBoxID:HTS2204-06681463-01

SMILES: OC(c1cc2ccccc2n1Cc3cccnc3C(F)(F)F)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-025049386-0001

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H11N2O2F3 320.270 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 1.9273 -4.9445
mLOGS mLOGD mLOGPA  
-4.390 2.013 -5.397  

Links to the same SMILES compounds

PUBCHEM 145907453 145907454

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