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ENAMINE-ZINC06587456

 MMsINC code: MMs01679078
Type: Neutral
Formula: C14H19F2N2O2S+
SMILES:   S(=O)(=O)(N1CC[N+]2(CCCC2)CC1)c1cc(F)c(F)cc1
InChI:   InChI=1/C14H19F2N2O2S/c15-13-4-3-12(11-14(13)16)21(19,20)17-5-9-18(10-6-17)7-1-2-8-18/h3-4,11H,1-2,5-10H2/q+1

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Potential Energy
Epot(MMFF94)=86.9571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.38 g/mol  logS: -2.35713  SlogP: 1.5797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147867  Sterimol/B1: 2.84622  Sterimol/B2: 3.92207  Sterimol/B3: 4.44083
  Sterimol/B4: 4.95476  Sterimol/L: 14.7314 
 
 Surface and Volume Properties
  Accessible surface: 493.666  Positive charged surface: 309.928  Negative charged surface: 183.738  Volume: 273.875
  Hydrophobic surface: 417.408  Hydrophilic surface: 76.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.