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


NCID-ZINC01587751

 MMsINC code: MMs02243464
Type: Neutral
Formula: C12H6Cl4S2
SMILES:   Clc1ccc(Cl)cc1SSc1cc(Cl)ccc1Cl
InChI:   InChI=1/C12H6Cl4S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6H

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)=50.2789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.124 g/mol  logS: -8.2711  SlogP: 7.0996  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.16195  Sterimol/B1: 2.62412  Sterimol/B2: 4.25214  Sterimol/B3: 5.4401
  Sterimol/B4: 5.57031  Sterimol/L: 12.3737 
 
 Surface and Volume Properties
  Accessible surface: 510.211  Positive charged surface: 111.966  Negative charged surface: 398.245  Volume: 268.25
  Hydrophobic surface: 510.211  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.