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PUBCHEM-ZINC04544686

 MMsINC code: MMs03131727
Type: Neutral
Formula: C6H12FO8P
SMILES:   P(OCC(O)C(O)C(O)C(F)C=O)(O)(O)=O
InChI:   InChI=1/C6H12FO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2H2,(H2,12,13,14)/t3-,4-,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-13.4621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.126 g/mol  logS: 1.0758  SlogP: -2.9349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0696306  Sterimol/B1: 2.93443  Sterimol/B2: 3.32866  Sterimol/B3: 3.48482
  Sterimol/B4: 3.77353  Sterimol/L: 14.6339 
 
 Surface and Volume Properties
  Accessible surface: 430.196  Positive charged surface: 239.414  Negative charged surface: 190.782  Volume: 193.25
  Hydrophobic surface: 91.1117  Hydrophilic surface: 339.0843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03131728
PUBCHEM-ZINC04544686