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PUBCHEM-ZINC04778347

 MMsINC code: MMs03170028
Type: Neutral
Formula: C15H15FN2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1ccc(NC(OCC)=O)cc1
InChI:   InChI=1/C15H15FN2O4S/c1-2-22-15(19)17-11-7-9-12(10-8-11)23(20,21)18-14-6-4-3-5-13(14)16/h3-10,18H,2H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=47.9748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.359 g/mol  logS: -3.94782  SlogP: 3.1949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867588  Sterimol/B1: 3.64916  Sterimol/B2: 4.43908  Sterimol/B3: 4.49167
  Sterimol/B4: 6.18645  Sterimol/L: 15.2605 
 
 Surface and Volume Properties
  Accessible surface: 558.015  Positive charged surface: 310.053  Negative charged surface: 247.962  Volume: 288.5
  Hydrophobic surface: 392.299  Hydrophilic surface: 165.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.