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PUBCHEM-ZINC00345121

 MMsINC code: MMs02659998
Type: Neutral
Formula: C14H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C14H13Cl2NO2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)14-8-12(15)6-7-13(14)16/h2-8,17H,9H2,1H3

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Potential Energy
Epot(MMFF94)=44.5693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.235 g/mol  logS: -4.93326  SlogP: 4.04672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824043  Sterimol/B1: 3.05209  Sterimol/B2: 3.65322  Sterimol/B3: 4.65757
  Sterimol/B4: 5.12079  Sterimol/L: 16.0788 
 
 Surface and Volume Properties
  Accessible surface: 522.645  Positive charged surface: 212.981  Negative charged surface: 309.663  Volume: 273.625
  Hydrophobic surface: 443.322  Hydrophilic surface: 79.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.