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PUBCHEM-ZINC06692678

 MMsINC code: MMs03840316
Type: Neutral
Formula: C14H17F4NO8
SMILES:   FC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)C(F)(F)F
InChI:   InChI=1/C14H17F4NO8/c1-5(20)24-4-8-10(25-6(2)21)11(26-7(3)22)9(12(15)27-8)19-13(23)14(16,17)18/h8-12H,4H2,1-3H3,(H,19,23)/t8-,9+,10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=102.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.281 g/mol  logS: -2.58859  SlogP: 0.9942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168518  Sterimol/B1: 3.5394  Sterimol/B2: 4.56923  Sterimol/B3: 4.71602
  Sterimol/B4: 7.29611  Sterimol/L: 15.243 
 
 Surface and Volume Properties
  Accessible surface: 620.767  Positive charged surface: 302.854  Negative charged surface: 317.913  Volume: 308.75
  Hydrophobic surface: 328.246  Hydrophilic surface: 292.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.