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ENAMINE-ZINC03262652

 MMsINC code: MMs01337634
Type: Neutral
Formula: C11H13F2NO2S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(F)cc1F
InChI:   InChI=1/C11H13F2NO2S/c12-9-4-5-11(10(13)8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2

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Potential Energy
Epot(MMFF94)=6.13542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.292 g/mol  logS: -2.64255  SlogP: 2.1394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109396  Sterimol/B1: 2.69001  Sterimol/B2: 2.97782  Sterimol/B3: 4.44433
  Sterimol/B4: 4.80071  Sterimol/L: 13.0369 
 
 Surface and Volume Properties
  Accessible surface: 423.764  Positive charged surface: 243.539  Negative charged surface: 180.225  Volume: 216.375
  Hydrophobic surface: 370.428  Hydrophilic surface: 53.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.