LigandBoxID:HTS1710-04646929-01

SMILES: O=C(NC(c1nc(c(s1)C)C)(C)C)Cn3cnc2ccccc32

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-020185761-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H20N4OS 328.439 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.4137 -9.0455
LOGS LOGP    
-4.903 4.045    

Links to the same SMILES compounds

PUBCHEM 99809556

Links to the another version LigandBox compounds (same SMILES)

201610_2 HTS1610-06856576

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