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PUBCHEM-ZINC05458859

 MMsINC code: MMs03275875
Type: Neutral
Formula: C2H8O6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)C
InChI:   InChI=1/C2H8O6P2/c1-2(9(3,4)5)10(6,7)8/h2H,1H3,(H2,3,4,5)(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-98.3595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.028 g/mol  logS: 1.54056  SlogP: -2.4526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235122  Sterimol/B1: 2.03803  Sterimol/B2: 2.73491  Sterimol/B3: 3.95243
  Sterimol/B4: 5.66099  Sterimol/L: 9.68606 
 
 Surface and Volume Properties
  Accessible surface: 321.691  Positive charged surface: 170.407  Negative charged surface: 151.284  Volume: 130.375
  Hydrophobic surface: 57.3304  Hydrophilic surface: 264.3606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.