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PUBCHEM-ZINC05647142

 MMsINC code: MMs03334036
Type: Neutral
Formula: C10H11F3N2O2
SMILES:   FC(F)(F)C(NC(OCc1ccccc1)=O)N
InChI:   InChI=1/C10H11F3N2O2/c11-10(12,13)8(14)15-9(16)17-6-7-4-2-1-3-5-7/h1-5,8H,6,14H2,(H,15,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=34.4456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.204 g/mol  logS: -2.26291  SlogP: 2.4462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665562  Sterimol/B1: 2.66399  Sterimol/B2: 3.63826  Sterimol/B3: 3.77954
  Sterimol/B4: 4.22014  Sterimol/L: 14.6393 
 
 Surface and Volume Properties
  Accessible surface: 453.099  Positive charged surface: 221.392  Negative charged surface: 231.708  Volume: 205.25
  Hydrophobic surface: 232.971  Hydrophilic surface: 220.128
 
 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.