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PUBCHEM-ZINC05856549

 MMsINC code: MMs03419958
Type: Neutral
Formula: C12H18F2O7
SMILES:   FC(C(O)(C(F)C(OCC)=O)C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C12H18F2O7/c1-4-19-9(15)7(13)12(18,11(17)21-6-3)8(14)10(16)20-5-2/h7-8,18H,4-6H2,1-3H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.265 g/mol  logS: -2.24152  SlogP: 0.9228  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0663321  Sterimol/B1: 3.1961  Sterimol/B2: 3.43208  Sterimol/B3: 3.57539
  Sterimol/B4: 7.07687  Sterimol/L: 16.5511 
 
 Surface and Volume Properties
  Accessible surface: 547.401  Positive charged surface: 359.427  Negative charged surface: 187.974  Volume: 265.375
  Hydrophobic surface: 321.941  Hydrophilic surface: 225.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.