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PUBCHEM-ZINC05131810

 MMsINC code: MMs03206705
Type: Ionized
Formula: C5H8FO7P-2
SMILES:   P(OCC(O)C(O)C(=O)CF)(=O)([O-])[O-]
InChI:   InChI=1/C5H10FO7P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-5,8-9H,1-2H2,(H2,10,11,12)/p-2/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-13.5969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.084 g/mol  logS: 0.43142  SlogP: -3.9781  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102339  Sterimol/B1: 2.70783  Sterimol/B2: 3.00733  Sterimol/B3: 3.41084
  Sterimol/B4: 4.53019  Sterimol/L: 11.6918 
 
 Surface and Volume Properties
  Accessible surface: 358.494  Positive charged surface: 151.948  Negative charged surface: 206.547  Volume: 157.5
  Hydrophobic surface: 96.8624  Hydrophilic surface: 261.6316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 3  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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Parent related molecule:


MMs03206704
PUBCHEM-ZINC05131810