LigandBoxID:HTS1610-01853427-01

SMILES: [Cl]c2cccc(C(n3nc(c(S(N1CCCCCC1)(=O)=O)c3C)C)=O)c2

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-012356653-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H22N3O3SCl 395.910 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.1207 -9.7908
LOGS LOGP    
-5.3544 3.1932    

Links to the same SMILES compounds

LIGANDBOX KSH2016-03698520
PUBCHEM 31510150

[Back to top page]