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PUBCHEM-ZINC06002479

 MMsINC code: MMs03484537
Type: Neutral
Formula: C16H16FNO4S
SMILES:   S(=O)(=O)(N(CC(OCc1ccccc1)=O)C)c1ccc(F)cc1
InChI:   InChI=1/C16H16FNO4S/c1-18(23(20,21)15-9-7-14(17)8-10-15)11-16(19)22-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=52.2841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.371 g/mol  logS: -3.76949  SlogP: 2.456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0516658  Sterimol/B1: 2.1103  Sterimol/B2: 3.00089  Sterimol/B3: 4.30782
  Sterimol/B4: 7.49016  Sterimol/L: 17.4364 
 
 Surface and Volume Properties
  Accessible surface: 579.267  Positive charged surface: 315.835  Negative charged surface: 263.432  Volume: 296.75
  Hydrophobic surface: 487.769  Hydrophilic surface: 91.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.