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PUBCHEM-ZINC01995836

 MMsINC code: MMs02838983
Type: Neutral
Formula: C14H18F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)CC(NC(=O)CC(O)C)C
InChI:   InChI=1/C14H18F3NO2/c1-9(18-13(20)7-10(2)19)6-11-4-3-5-12(8-11)14(15,16)17/h3-5,8-10,19H,6-7H2,1-2H3,(H,18,20)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=48.9146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.297 g/mol  logS: -2.98283  SlogP: 2.83497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142148  Sterimol/B1: 2.29416  Sterimol/B2: 3.22382  Sterimol/B3: 4.56683
  Sterimol/B4: 8.94232  Sterimol/L: 12.4925 
 
 Surface and Volume Properties
  Accessible surface: 507.754  Positive charged surface: 277.781  Negative charged surface: 229.973  Volume: 261.25
  Hydrophobic surface: 299.827  Hydrophilic surface: 207.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.