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PUBCHEM-ZINC05113692

 MMsINC code: MMs03201867
Type: Ionized
Formula: C2H4O8P2-4
SMILES:   P(OCCOP(=O)([O-])[O-])(=O)([O-])[O-]
InChI:   InChI=1/C2H8O8P2/c3-11(4,5)9-1-2-10-12(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)/p-4

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Potential Energy
Epot(MMFF94)=12.9176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.994 g/mol  logS: 0.9533  SlogP: -5.4634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108051  Sterimol/B1: 2.47731  Sterimol/B2: 2.82938  Sterimol/B3: 3.58346
  Sterimol/B4: 3.72769  Sterimol/L: 11.28 
 
 Surface and Volume Properties
  Accessible surface: 348.103  Positive charged surface: 94.0465  Negative charged surface: 254.056  Volume: 131.75
  Hydrophobic surface: 71.1817  Hydrophilic surface: 276.9213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 6  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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Parent related molecule:


MMs03201866
PUBCHEM-ZINC05113692