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PUBCHEM-ZINC05464721

 MMsINC code: MMs03277272
Type: Neutral
Formula: C13H20FNO2S
SMILES:   S(=O)(=O)(NC(CCCCC)C)c1ccc(F)cc1
InChI:   InChI=1/C13H20FNO2S/c1-3-4-5-6-11(2)15-18(16,17)13-9-7-12(14)8-10-13/h7-11,15H,3-6H2,1-2H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=3.63731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.372 g/mol  logS: -3.91969  SlogP: 3.0728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722529  Sterimol/B1: 3.43003  Sterimol/B2: 3.5141  Sterimol/B3: 4.38499
  Sterimol/B4: 4.44528  Sterimol/L: 16.5222 
 
 Surface and Volume Properties
  Accessible surface: 504.522  Positive charged surface: 301.246  Negative charged surface: 203.275  Volume: 260.5
  Hydrophobic surface: 391.223  Hydrophilic surface: 113.299
 
 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.