LigandBoxID:KSH2017-03996699-01

SMILES: CC(Nc2ncc(NC(CC1(c3cccc(C(F)(F)F)c3)CCC1)=O)cn2)C

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2017
KL-008-0212-748

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H23N4OF3 392.425 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.3204 -8.9330
LOGS LOGP    
-5.927 5.099    
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