LigandBoxID:HTS1710-04822672-01

SMILES: N#Cc3nccnc3OC1CCC(NS(c2cn(c(n2)C)C)(=O)=O)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-020391720-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H20N6O3S 376.440 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -0.9191 -9.7411
LOGS LOGP    
-3.096 1.525    

Links to the same SMILES compounds

PUBCHEM 91626222

Links to the another version LigandBox compounds (same SMILES)

201610_2 HTS1610-07181347

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