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


ENAMINE-ZINC01029065

 MMsINC code: MMs01237562
Type: Neutral
Formula: C12H9Cl2NO4S2
SMILES:   Clc1cc(S(=O)(=O)Nc2ccsc2C(OC)=O)cc(Cl)c1
InChI:   InChI=1/C12H9Cl2NO4S2/c1-19-12(16)11-10(2-3-20-11)15-21(17,18)9-5-7(13)4-8(14)6-9/h2-6,15H,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)=25.0045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.245 g/mol  logS: -4.7037  SlogP: 3.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257668  Sterimol/B1: 4.2332  Sterimol/B2: 4.23696  Sterimol/B3: 5.58665
  Sterimol/B4: 7.20642  Sterimol/L: 12.4454 
 
 Surface and Volume Properties
  Accessible surface: 525.861  Positive charged surface: 202.737  Negative charged surface: 323.124  Volume: 277.25
  Hydrophobic surface: 419.73  Hydrophilic surface: 106.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.