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ALFAAESAR-ZINC03830813

 MMsINC code: MMs00024286
Type: Neutral
Formula: C2H8O7P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)(O)C
InChI:   InChI=1/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

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Potential Energy
Epot(MMFF94)=-49.278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.027 g/mol  logS: 1.51191  SlogP: -3.1326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.335543  Sterimol/B1: 2.00041  Sterimol/B2: 3.06984  Sterimol/B3: 4.23252
  Sterimol/B4: 5.63197  Sterimol/L: 9.72869 
 
 Surface and Volume Properties
  Accessible surface: 325.836  Positive charged surface: 163.583  Negative charged surface: 162.253  Volume: 137.875
  Hydrophobic surface: 39.2188  Hydrophilic surface: 286.6172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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.