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ENAMINE-ZINC03331629

 MMsINC code: MMs01377094
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(NC1CCCCC1C)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3/t9-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=12.2733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.48573  SlogP: 2.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101262  Sterimol/B1: 3.10157  Sterimol/B2: 3.17646  Sterimol/B3: 3.6391
  Sterimol/B4: 6.31453  Sterimol/L: 12.6619 
 
 Surface and Volume Properties
  Accessible surface: 454.696  Positive charged surface: 258.225  Negative charged surface: 196.471  Volume: 246.5
  Hydrophobic surface: 361.163  Hydrophilic surface: 93.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.