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PUBCHEM-ZINC00563851

 MMsINC code: MMs02704474
Type: Neutral
Formula: C14H11ClFNO4S
SMILES:   Clc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(OC)=O
InChI:   InChI=1/C14H11ClFNO4S/c1-21-14(18)12-8-10(4-7-13(12)15)17-22(19,20)11-5-2-9(16)3-6-11/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=54.2023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.762 g/mol  logS: -4.45772  SlogP: 3.0665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234213  Sterimol/B1: 2.79846  Sterimol/B2: 4.08434  Sterimol/B3: 4.85771
  Sterimol/B4: 6.95688  Sterimol/L: 12.3719 
 
 Surface and Volume Properties
  Accessible surface: 516.675  Positive charged surface: 261.419  Negative charged surface: 255.256  Volume: 273.625
  Hydrophobic surface: 407.292  Hydrophilic surface: 109.383
 
 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.