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PUBCHEM-ZINC03470109

 MMsINC code: MMs03014879
Type: Neutral
Formula: C14H13ClO3S
SMILES:   Clc1ccc(S(=O)(=O)CCOc2ccccc2)cc1
InChI:   InChI=1/C14H13ClO3S/c15-12-6-8-14(9-7-12)19(16,17)11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2

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Potential Energy
Epot(MMFF94)=48.0267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.774 g/mol  logS: -4.10458  SlogP: 3.1927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551538  Sterimol/B1: 3.61905  Sterimol/B2: 3.62047  Sterimol/B3: 3.69293
  Sterimol/B4: 4.1088  Sterimol/L: 17.8071 
 
 Surface and Volume Properties
  Accessible surface: 521.828  Positive charged surface: 232.363  Negative charged surface: 289.465  Volume: 258.875
  Hydrophobic surface: 458.104  Hydrophilic surface: 63.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.