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PUBCHEM-ZINC06885452

 MMsINC code: MMs03889836
Type: Neutral
Formula: C12H9ClO2S2
SMILES:   Clc1ccc(SS(=O)(=O)c2ccccc2)cc1
InChI:   InChI=1/C12H9ClO2S2/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.1629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.787 g/mol  logS: -5.18752  SlogP: 3.821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761355  Sterimol/B1: 3.56681  Sterimol/B2: 3.70558  Sterimol/B3: 3.72266
  Sterimol/B4: 3.98423  Sterimol/L: 16.01 
 
 Surface and Volume Properties
  Accessible surface: 465.724  Positive charged surface: 172.056  Negative charged surface: 293.669  Volume: 235.625
  Hydrophobic surface: 387.439  Hydrophilic surface: 78.285
 
 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.