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PUBCHEM-ZINC05287084

 MMsINC code: MMs03233743
Type: Ionized
Formula: C4H4F6O4P-
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)(=O)[O-]
InChI:   InChI=1/C4H5F6O4P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2,(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-3.49778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.034 g/mol  logS: -1.75826  SlogP: 1.3822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683362  Sterimol/B1: 3.02489  Sterimol/B2: 3.12555  Sterimol/B3: 3.12559
  Sterimol/B4: 3.35174  Sterimol/L: 12.6621 
 
 Surface and Volume Properties
  Accessible surface: 379.8  Positive charged surface: 85.0939  Negative charged surface: 294.706  Volume: 147.5
  Hydrophobic surface: 69.238  Hydrophilic surface: 310.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs03233742
PUBCHEM-ZINC05287084