LigandBoxID:KSH2016-03698520-01

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

Kishida2016
KS151-4442330

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 -1.2091 -9.7974
LOGS LOGP    
-5.3547 3.1932    

Links to the same SMILES compounds

LIGANDBOX HTS1610-01853427
PUBCHEM 31510150

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