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


MAYBRIDGE-ZINC00165203

 MMsINC code: MMs02144940
Type: Neutral
Formula: C14H12Cl2O2S2
SMILES:   Clc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1
InChI:   InChI=1/C14H12Cl2O2S2/c15-11-1-5-13(6-2-11)19-9-10-20(17,18)14-7-3-12(16)4-8-14/h1-8H,9-10H2

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)=44.101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.286 g/mol  logS: -5.80989  SlogP: 4.5594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503016  Sterimol/B1: 2.55568  Sterimol/B2: 3.61677  Sterimol/B3: 3.62045
  Sterimol/B4: 5.30431  Sterimol/L: 19.2966 
 
 Surface and Volume Properties
  Accessible surface: 554.439  Positive charged surface: 196.568  Negative charged surface: 357.872  Volume: 287.25
  Hydrophobic surface: 464.568  Hydrophilic surface: 89.871
 
 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.