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ENAMINE-ZINC03306720

 MMsINC code: MMs01361556
Type: Neutral
Formula: C11H13F2NO2S
SMILES:   S(=O)(=O)(NC1CCCC1)c1cc(F)c(F)cc1
InChI:   InChI=1/C11H13F2NO2S/c12-10-6-5-9(7-11(10)13)17(15,16)14-8-3-1-2-4-8/h5-8,14H,1-4H2

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Potential Energy
Epot(MMFF94)=8.61921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.292 g/mol  logS: -2.76874  SlogP: 2.1857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166027  Sterimol/B1: 2.67427  Sterimol/B2: 3.90243  Sterimol/B3: 4.58676
  Sterimol/B4: 4.70499  Sterimol/L: 12.7152 
 
 Surface and Volume Properties
  Accessible surface: 436.755  Positive charged surface: 235.785  Negative charged surface: 200.97  Volume: 216.375
  Hydrophobic surface: 363.096  Hydrophilic surface: 73.659
 
 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.