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PUBCHEM-ZINC05320398

 MMsINC code: MMs03239542
Type: Neutral
Formula: C3H10O7P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)COC
InChI:   InChI=1/C3H10O7P2/c1-10-2-3(11(4,5)6)12(7,8)9/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)

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Potential Energy
Epot(MMFF94)=-94.1354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.054 g/mol  logS: 1.72513  SlogP: -2.8261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281498  Sterimol/B1: 2.92988  Sterimol/B2: 3.33189  Sterimol/B3: 3.8888
  Sterimol/B4: 5.24786  Sterimol/L: 9.87898 
 
 Surface and Volume Properties
  Accessible surface: 361.526  Positive charged surface: 235.664  Negative charged surface: 125.862  Volume: 156.375
  Hydrophobic surface: 127.76  Hydrophilic surface: 233.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.