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


PUBCHEM-ZINC00336832

 MMsINC code: MMs02658025
Type: Neutral
Formula: C7H5Cl3O2S
SMILES:   Clc1cc(Cl)c(Cl)cc1S(=O)(=O)C
InChI:   InChI=1/C7H5Cl3O2S/c1-13(11,12)7-3-5(9)4(8)2-6(7)10/h2-3H,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)=30.4124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.54 g/mol  logS: -3.72844  SlogP: 3.0503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106049  Sterimol/B1: 2.3968  Sterimol/B2: 4.31569  Sterimol/B3: 4.41192
  Sterimol/B4: 4.44377  Sterimol/L: 11.5137 
 
 Surface and Volume Properties
  Accessible surface: 380.946  Positive charged surface: 96.8674  Negative charged surface: 284.078  Volume: 183.75
  Hydrophobic surface: 318.88  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.