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PUBCHEM-ZINC02047358

 MMsINC code: MMs02865355
Type: Ionized
Formula: C5H11O7P-2
SMILES:   P(OCC(O)C(O)C(O)C)(=O)([O-])[O-]
InChI:   InChI=1/C5H13O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/p-2/t3-,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.53544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.11 g/mol  logS: 0.96179  SlogP: -4.1359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115547  Sterimol/B1: 2.97287  Sterimol/B2: 3.10759  Sterimol/B3: 3.37045
  Sterimol/B4: 3.74171  Sterimol/L: 12.2723 
 
 Surface and Volume Properties
  Accessible surface: 366.162  Positive charged surface: 187.708  Negative charged surface: 178.455  Volume: 161
  Hydrophobic surface: 130.333  Hydrophilic surface: 235.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 3
 
 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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MMs02865354
PUBCHEM-ZINC02047358