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PUBCHEM-ZINC06523843

 MMsINC code: MMs03781913
Type: Neutral
Formula: C2H8O8P2
SMILES:   P(O)(O)(=O)C(O)C(P(O)(O)=O)O
InChI:   InChI=1/C2H8O8P2/c3-1(11(5,6)7)2(4)12(8,9)10/h1-4H,(H2,5,6,7)(H2,8,9,10)/t1-,2+

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Potential Energy
Epot(MMFF94)=-32.2504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.026 g/mol  logS: 2.39212  SlogP: -4.1618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147808  Sterimol/B1: 2.78854  Sterimol/B2: 3.28878  Sterimol/B3: 3.73792
  Sterimol/B4: 3.78786  Sterimol/L: 11.0601 
 
 Surface and Volume Properties
  Accessible surface: 346.972  Positive charged surface: 171.605  Negative charged surface: 175.367  Volume: 144.25
  Hydrophobic surface: 23.5509  Hydrophilic surface: 323.4211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.