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PUBCHEM-ZINC06678136

 MMsINC code: MMs03837465
Type: Neutral
Formula: C8H9ClO2S2
SMILES:   Clc1ccc(SS(=O)(=O)CC)cc1
InChI:   InChI=1/C8H9ClO2S2/c1-2-13(10,11)12-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.9907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.743 g/mol  logS: -3.69087  SlogP: 2.7818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116309  Sterimol/B1: 2.47981  Sterimol/B2: 3.2341  Sterimol/B3: 4.59003
  Sterimol/B4: 4.60503  Sterimol/L: 12.3627 
 
 Surface and Volume Properties
  Accessible surface: 406.841  Positive charged surface: 162.266  Negative charged surface: 244.575  Volume: 192.875
  Hydrophobic surface: 289.493  Hydrophilic surface: 117.348
 
 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.