LigandBoxID:HTS2204-03089181-01

SMILES: CCn2nnc3cc(C(Nc1ncccc1C)=O)ccc32

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-016040791-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H15N5O 281.319 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.9268 -8.9650
mLOGS mLOGD mLOGPA  
-4.329 2.701 -5.469  
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