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PUBCHEM-ZINC06019544

 MMsINC code: MMs03494857
Type: Neutral
Formula: C13H8Cl4O2S
SMILES:   Clc1cc(S(=O)(=O)C)c(Cl)cc1-c1cc(Cl)ccc1Cl
InChI:   InChI=1/C13H8Cl4O2S/c1-20(18,19)13-6-11(16)9(5-12(13)17)8-4-7(14)2-3-10(8)15/h2-6H,1H3

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Potential Energy
Epot(MMFF94)=62.8103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.083 g/mol  logS: -6.88911  SlogP: 5.3707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731284  Sterimol/B1: 3.21241  Sterimol/B2: 3.85546  Sterimol/B3: 4.46615
  Sterimol/B4: 5.43123  Sterimol/L: 14.5052 
 
 Surface and Volume Properties
  Accessible surface: 509.258  Positive charged surface: 145.86  Negative charged surface: 361.723  Volume: 274.5
  Hydrophobic surface: 447.192  Hydrophilic surface: 62.066
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.