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PUBCHEM-ZINC05113693

 MMsINC code: MMs03201869
Type: Ionized
Formula: C6H8F6O4P-
SMILES:   P(OCCC(F)(F)F)(OCCC(F)(F)F)(=O)[O-]
InChI:   InChI=1/C6H9F6O4P/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-27.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.088 g/mol  logS: -2.1618  SlogP: 2.1624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425775  Sterimol/B1: 2.12478  Sterimol/B2: 3.12587  Sterimol/B3: 3.129
  Sterimol/B4: 4.19109  Sterimol/L: 14.6519 
 
 Surface and Volume Properties
  Accessible surface: 437.304  Positive charged surface: 146.193  Negative charged surface: 291.111  Volume: 183.625
  Hydrophobic surface: 142.704  Hydrophilic surface: 294.6
 
 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:


MMs03201868
PUBCHEM-ZINC05113693