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PUBCHEM-ZINC03653255

 MMsINC code: MMs03034763
Type: Neutral
Formula: C13H8Cl4O2S
SMILES:   Clc1c(cccc1Cl)-c1cc(Cl)c(S(=O)(=O)C)cc1Cl
InChI:   InChI=1/C13H8Cl4O2S/c1-20(18,19)12-6-10(15)8(5-11(12)16)7-3-2-4-9(14)13(7)17/h2-6H,1H3

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Potential Energy
Epot(MMFF94)=67.6402 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: 0.0723357  Sterimol/B1: 2.94825  Sterimol/B2: 3.22453  Sterimol/B3: 4.4356
  Sterimol/B4: 5.25536  Sterimol/L: 14.5431 
 
 Surface and Volume Properties
  Accessible surface: 504.717  Positive charged surface: 151.278  Negative charged surface: 352.045  Volume: 277.25
  Hydrophobic surface: 442.651  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.