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PUBCHEM-ZINC00562740

 MMsINC code: MMs02704065
Type: Neutral
Formula: C11H16FNO2S
SMILES:   S(=O)(=O)(NC(CCC)C)c1ccc(F)cc1
InChI:   InChI=1/C11H16FNO2S/c1-3-4-9(2)13-16(14,15)11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=1.98648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.318 g/mol  logS: -2.88925  SlogP: 2.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248467  Sterimol/B1: 2.27961  Sterimol/B2: 4.04892  Sterimol/B3: 4.32407
  Sterimol/B4: 7.84605  Sterimol/L: 10.9017 
 
 Surface and Volume Properties
  Accessible surface: 438.968  Positive charged surface: 247.275  Negative charged surface: 191.693  Volume: 225.375
  Hydrophobic surface: 320.185  Hydrophilic surface: 118.783
 
 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.