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ENAMINE-ZINC06343444

 MMsINC code: MMs01661968
Type: Neutral
Formula: C16H17F2NO2S
SMILES:   S(=O)(=O)(Nc1ccccc1C(CC)C)c1c(F)cccc1F
InChI:   InChI=1/C16H17F2NO2S/c1-3-11(2)12-7-4-5-10-15(12)19-22(20,21)16-13(17)8-6-9-14(16)18/h4-11,19H,3H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=38.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.379 g/mol  logS: -5.34281  SlogP: 4.2791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244737  Sterimol/B1: 3.18185  Sterimol/B2: 4.1516  Sterimol/B3: 4.58838
  Sterimol/B4: 7.21062  Sterimol/L: 12.8895 
 
 Surface and Volume Properties
  Accessible surface: 503.624  Positive charged surface: 264.044  Negative charged surface: 239.579  Volume: 286.125
  Hydrophobic surface: 393.668  Hydrophilic surface: 109.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.