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PUBCHEM-ZINC00029607

 MMsINC code: MMs02627322
Type: Neutral
Formula: C13H18FNO2S
SMILES:   S(=O)(=O)(N1CCCCC1CC)c1ccc(F)cc1
InChI:   InChI=1/C13H18FNO2S/c1-2-12-5-3-4-10-15(12)18(16,17)13-8-6-11(14)7-9-13/h6-9,12H,2-5,10H2,1H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=58.7858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.356 g/mol  logS: -2.87655  SlogP: 2.7789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281405  Sterimol/B1: 2.37082  Sterimol/B2: 3.53503  Sterimol/B3: 4.77887
  Sterimol/B4: 7.61356  Sterimol/L: 11.3958 
 
 Surface and Volume Properties
  Accessible surface: 450.384  Positive charged surface: 270.924  Negative charged surface: 179.461  Volume: 245.75
  Hydrophobic surface: 376.77  Hydrophilic surface: 73.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.