LigandBoxID:HTS1610-06400501-01

SMILES: C1CCC(n4nc(cc4c2ccncc2)CNC(c3cccc(C(F)(F)F)c3)=O)C1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-019767434-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H21N4OF3 414.431 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.6619 -9.6257
LOGS LOGP    
-4.9078 4.2002    

Links to the same SMILES compounds

LIGANDBOX HTS1610-06400502

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-04374654

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