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PUBCHEM-ZINC06068441

 MMsINC code: MMs03521330
Type: Neutral
Formula: C7H6Cl2OS
SMILES:   Clc1cc(S(=O)C)cc(Cl)c1
InChI:   InChI=1/C7H6Cl2OS/c1-11(10)7-3-5(8)2-6(9)4-7/h2-4H,1H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.096 g/mol  logS: -3.14363  SlogP: 2.7308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990389  Sterimol/B1: 2.12506  Sterimol/B2: 3.84407  Sterimol/B3: 4.42248
  Sterimol/B4: 5.04188  Sterimol/L: 10.306 
 
 Surface and Volume Properties
  Accessible surface: 362.846  Positive charged surface: 134.535  Negative charged surface: 228.311  Volume: 164.125
  Hydrophobic surface: 309.357  Hydrophilic surface: 53.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.