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


KEYORGANICS-ZINC01400283

 MMsINC code: MMs02106023
Type: Neutral
Formula: C13H10Cl2O2S2
SMILES:   Clc1ccc(S(=O)(=O)CSc2ccc(Cl)cc2)cc1
InChI:   InChI=1/C13H10Cl2O2S2/c14-10-1-5-12(6-2-10)18-9-19(16,17)13-7-3-11(15)4-8-13/h1-8H,9H2

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)=69.0834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.259 g/mol  logS: -5.51539  SlogP: 4.5169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751056  Sterimol/B1: 2.91275  Sterimol/B2: 3.06195  Sterimol/B3: 4.43358
  Sterimol/B4: 5.86016  Sterimol/L: 15.6891 
 
 Surface and Volume Properties
  Accessible surface: 501.244  Positive charged surface: 177.34  Negative charged surface: 323.904  Volume: 267.5
  Hydrophobic surface: 424.672  Hydrophilic surface: 76.572
 
 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.