LigandBoxID:HTS1610-06089328-01

SMILES: C1CC(c3nc4ccccc4n3)N(C(c2nccnc2)=O)C1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-019526761-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H15N5O 293.330 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -1.1394 -8.3638
LOGS LOGP    
-2.5115 1.5746    

Links to the same SMILES compounds

LIGANDBOX HTS1610-06089327
PUBCHEM 51269937

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-04176582

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