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ENAMINE-ZINC03293396

 MMsINC code: MMs01354540
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(NC1CCCCCC1)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c14-10-7-8-13(12(15)9-10)19(17,18)16-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6H2

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Potential Energy
Epot(MMFF94)=11.2121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.79918  SlogP: 2.9659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265521  Sterimol/B1: 2.44071  Sterimol/B2: 2.97763  Sterimol/B3: 5.18162
  Sterimol/B4: 6.04704  Sterimol/L: 11.6212 
 
 Surface and Volume Properties
  Accessible surface: 462.294  Positive charged surface: 260.823  Negative charged surface: 201.471  Volume: 247.875
  Hydrophobic surface: 390.785  Hydrophilic surface: 71.509
 
 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.