LigandBoxID:KSH2017-00426493-01

SMILES: CC(COc3c(cccc3NC(c1cnc(N2CCCCCC2=O)nc1)=O)F)C

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2017
KL-001-0232-499

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H25N4O3F 400.454 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -1.0339 -9.0383
LOGS LOGP    
-5.355 3.918    
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