LigandBoxID:KSH2210-00868726-01

SMILES: CCCCC2=C(Nc3nc(N(Cc1ccccc1)C(=O)C)nn3C2=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2210
KS122-1023438

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H23N5O2 353.426 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.5275 -9.2594
mLOGS mLOGD mLOGPA  
-3.595 1.954 -5.477  

Links to the same SMILES compounds

LIGANDBOX HTS2204-06056511

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