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PUBCHEM-ZINC05473324

 MMsINC code: MMs03279507
Type: Neutral
Formula: C11H16F3NO3
SMILES:   FC(F)(F)C(=O)NC1CC(CCC1)C(OCC)=O
InChI:   InChI=1/C11H16F3NO3/c1-2-18-9(16)7-4-3-5-8(6-7)15-10(17)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=54.8219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.247 g/mol  logS: -2.29388  SlogP: 2.2067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123919  Sterimol/B1: 2.88037  Sterimol/B2: 3.75435  Sterimol/B3: 4.33121
  Sterimol/B4: 5.15525  Sterimol/L: 14.6913 
 
 Surface and Volume Properties
  Accessible surface: 470.657  Positive charged surface: 264.957  Negative charged surface: 205.7  Volume: 226.5
  Hydrophobic surface: 269.687  Hydrophilic surface: 200.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.