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


NCID-ZINC00640091

 MMsINC code: MMs02217609
Type: Neutral
Formula: C12H9Cl2NO4S2
SMILES:   Clc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C12H9Cl2NO4S2/c13-9-1-5-11(6-2-9)20(16,17)15-21(18,19)12-7-3-10(14)4-8-12/h1-8,15H

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)=-18.0698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.245 g/mol  logS: -5.02103  SlogP: 2.6606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772214  Sterimol/B1: 2.99023  Sterimol/B2: 3.33434  Sterimol/B3: 4.71002
  Sterimol/B4: 4.96947  Sterimol/L: 16.3332 
 
 Surface and Volume Properties
  Accessible surface: 509.917  Positive charged surface: 162.942  Negative charged surface: 346.976  Volume: 274.125
  Hydrophobic surface: 387.155  Hydrophilic surface: 122.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.