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PUBCHEM-ZINC06753319

 MMsINC code: MMs03850380
Type: Ionized
Formula: C5H11O7P-2
SMILES:   P(OCC(O)C(O)CCO)(=O)([O-])[O-]
InChI:   InChI=1/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/p-2/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=-19.2656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.11 g/mol  logS: 1.08723  SlogP: -4.1343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946765  Sterimol/B1: 2.60124  Sterimol/B2: 2.93739  Sterimol/B3: 3.42058
  Sterimol/B4: 3.75781  Sterimol/L: 12.7618 
 
 Surface and Volume Properties
  Accessible surface: 366.407  Positive charged surface: 194.712  Negative charged surface: 171.695  Volume: 160.625
  Hydrophobic surface: 142.232  Hydrophilic surface: 224.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03850379
PUBCHEM-ZINC06753319