logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03653256

 MMsINC code: MMs03034764
Type: Neutral
Formula: C13H8Cl4O2S
SMILES:   Clc1c(-c2cc(Cl)ccc2)c(Cl)cc(S(=O)(=O)C)c1Cl
InChI:   InChI=1/C13H8Cl4O2S/c1-20(18,19)10-6-9(15)11(13(17)12(10)16)7-3-2-4-8(14)5-7/h2-6H,1H3

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=60.8862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.083 g/mol  logS: -6.88911  SlogP: 5.3707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887442  Sterimol/B1: 2.82455  Sterimol/B2: 4.23257  Sterimol/B3: 4.58418
  Sterimol/B4: 4.58525  Sterimol/L: 14.5012 
 
 Surface and Volume Properties
  Accessible surface: 505.956  Positive charged surface: 151.661  Negative charged surface: 352.905  Volume: 275.5
  Hydrophobic surface: 443.89  Hydrophilic surface: 62.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.