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ENAMINE-ZINC05583950

 MMsINC code: MMs01625851
Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChI:   InChI=1/C13H11ClFNO2S/c14-11-5-7-12(8-6-11)19(17,18)16-9-10-3-1-2-4-13(10)15/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=13.8573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.753 g/mol  logS: -4.02003  SlogP: 3.224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111971  Sterimol/B1: 3.59852  Sterimol/B2: 3.92848  Sterimol/B3: 4.79643
  Sterimol/B4: 4.89065  Sterimol/L: 15.1497 
 
 Surface and Volume Properties
  Accessible surface: 491.632  Positive charged surface: 200.847  Negative charged surface: 290.785  Volume: 248.75
  Hydrophobic surface: 408.028  Hydrophilic surface: 83.604
 
 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.