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CHEMDIV-ZINC00189371

 MMsINC code: MMs00837148
Type: Neutral
Formula: C12H8Cl2O2S
SMILES:   Clc1ccccc1S(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C12H8Cl2O2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.166 g/mol  logS: -4.81801  SlogP: 3.8262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155391  Sterimol/B1: 3.04388  Sterimol/B2: 3.2543  Sterimol/B3: 5.07208
  Sterimol/B4: 5.19428  Sterimol/L: 13.0824 
 
 Surface and Volume Properties
  Accessible surface: 441.281  Positive charged surface: 150.034  Negative charged surface: 291.247  Volume: 228.875
  Hydrophobic surface: 386.031  Hydrophilic surface: 55.25
 
 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
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Ions/Tautomers related molecules: no related molecules available.