LigandBoxID:KSH2017-00417443-01

SMILES: Fc2ccccc2Nc3ncc(NC(c4cnc5n(c4)ncc5C1CCC1)=O)cn3

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2017
KL-001-0266-742

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H18N7OF 403.421 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -1.1515 -8.6751
LOGS LOGP    
-5.113 3.403    
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