LigandBoxID:KSH2017-00745232-01

SMILES: c1cncc(c4onc(C(NC2CN(c3ncccn3)C2)=O)n4)c1

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2017
KL-001-0984-046

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H13N7O2 323.316 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -1.4124 -9.2299
LOGS LOGP    
-2.451 0.731    
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