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PUBCHEM-ZINC05830301

 MMsINC code: MMs03405158
Type: Neutral
Formula: C2H8O7P2
SMILES:   P(O)(O)(=O)C(O)CP(O)(O)=O
InChI:   InChI=1/C2H8O7P2/c3-2(11(7,8)9)1-10(4,5)6/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-67.1297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.027 g/mol  logS: 2.07031  SlogP: -3.4802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143665  Sterimol/B1: 2.58522  Sterimol/B2: 3.50975  Sterimol/B3: 3.59893
  Sterimol/B4: 3.69478  Sterimol/L: 11.0512 
 
 Surface and Volume Properties
  Accessible surface: 341.274  Positive charged surface: 175.442  Negative charged surface: 165.832  Volume: 137.375
  Hydrophobic surface: 39.7597  Hydrophilic surface: 301.5143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.