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PUBCHEM-ZINC02105352

 MMsINC code: MMs02872858
Type: Neutral
Formula: C14H15F4NO4
SMILES:   Fc1cc(NC(=O)CC(O)(C(OCC)=O)C(F)(F)F)c(cc1)C
InChI:   InChI=1/C14H15F4NO4/c1-3-23-12(21)13(22,14(16,17)18)7-11(20)19-10-6-9(15)5-4-8(10)2/h4-6,22H,3,7H2,1-2H3,(H,19,20)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=61.0296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.269 g/mol  logS: -3.54017  SlogP: 2.73912  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0489569  Sterimol/B1: 2.85153  Sterimol/B2: 3.2974  Sterimol/B3: 3.4001
  Sterimol/B4: 7.82245  Sterimol/L: 14.3543 
 
 Surface and Volume Properties
  Accessible surface: 535.782  Positive charged surface: 272.451  Negative charged surface: 263.331  Volume: 268.75
  Hydrophobic surface: 349.032  Hydrophilic surface: 186.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.