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PUBCHEM-ZINC05717236

 MMsINC code: MMs03357146
Type: Neutral
Formula: C7H11F3N2O3
SMILES:   FC(F)(F)C(NC(=O)NC)C(OCC)=O
InChI:   InChI=1/C7H11F3N2O3/c1-3-15-5(13)4(7(8,9)10)12-6(14)11-2/h4H,3H2,1-2H3,(H2,11,12,14)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.586669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.17 g/mol  logS: -1.4227  SlogP: 0.8293  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0539731  Sterimol/B1: 2.5652  Sterimol/B2: 3.12154  Sterimol/B3: 3.8144
  Sterimol/B4: 4.17337  Sterimol/L: 14.2363 
 
 Surface and Volume Properties
  Accessible surface: 415.522  Positive charged surface: 261.056  Negative charged surface: 154.466  Volume: 179.75
  Hydrophobic surface: 205.89  Hydrophilic surface: 209.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.