LigandBoxID:KSH2210-02215883-01

SMILES: c1cnc(C(N3CCC(n5nnc(c4onc(C2CC2)n4)c5)CC3)=O)c1

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2210
KS151-4306821

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N7O2 353.386 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -0.7296 -9.3852
mLOGS mLOGD mLOGPA  
-3.627 2.186 -5.524  

Links to the same SMILES compounds

LIGANDBOX HTS2204-00158428
PUBCHEM 91891975

[Back to top page]