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


ENAMINE-ZINC02658019

 MMsINC code: MMs01280306
Type: Neutral
Formula: C11H6Cl2F3NO2S2
SMILES:   Clc1ccc(NS(=O)(=O)c2sc(Cl)cc2)cc1C(F)(F)F
InChI:   InChI=1/C11H6Cl2F3NO2S2/c12-8-2-1-6(5-7(8)11(14,15)16)17-21(18,19)10-4-3-9(13)20-10/h1-5,17H

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)=45.9679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.206 g/mol  logS: -5.84812  SlogP: 5.186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236581  Sterimol/B1: 2.8212  Sterimol/B2: 3.3776  Sterimol/B3: 4.52474
  Sterimol/B4: 6.87871  Sterimol/L: 12.0086 
 
 Surface and Volume Properties
  Accessible surface: 497.19  Positive charged surface: 124.206  Negative charged surface: 372.984  Volume: 259.25
  Hydrophobic surface: 320.306  Hydrophilic surface: 176.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.