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PUBCHEM-ZINC05677763

 MMsINC code: MMs03344781
Type: Neutral
Formula: C8H10Cl2N2O2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NN(C)C
InChI:   InChI=1/C8H10Cl2N2O2S/c1-12(2)11-15(13,14)8-5-6(9)3-4-7(8)10/h3-5,11H,1-2H3

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Potential Energy
Epot(MMFF94)=57.8796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.152 g/mol  logS: -2.74695  SlogP: 1.7483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143044  Sterimol/B1: 3.46968  Sterimol/B2: 3.81173  Sterimol/B3: 3.86529
  Sterimol/B4: 4.94174  Sterimol/L: 12.2717 
 
 Surface and Volume Properties
  Accessible surface: 412.758  Positive charged surface: 207.38  Negative charged surface: 205.378  Volume: 208.75
  Hydrophobic surface: 334.05  Hydrophilic surface: 78.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.