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PUBCHEM-ZINC05131810

 MMsINC code: MMs03206704
Type: Neutral
Formula: C5H10FO7P
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)/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-34.0392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.1 g/mol  logS: 0.57446  SlogP: -2.7141  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0723649  Sterimol/B1: 2.81316  Sterimol/B2: 3.20781  Sterimol/B3: 3.37117
  Sterimol/B4: 3.68377  Sterimol/L: 12.8869 
 
 Surface and Volume Properties
  Accessible surface: 393.415  Positive charged surface: 209.868  Negative charged surface: 183.547  Volume: 167.75
  Hydrophobic surface: 78.5971  Hydrophilic surface: 314.8179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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


MMs03206705
PUBCHEM-ZINC05131810