LigandBoxID:HTS2204-00158428-01

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

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-000308244-0000

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 -0.6572 -9.3973
mLOGS mLOGD mLOGPA  
-3.649 2.189 -5.529  

Links to the same SMILES compounds

LIGANDBOX KSH2210-02215883
PUBCHEM 91891975

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