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PUBCHEM-ZINC06494205

MMsINC code: MMs03767081

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+/m1/s1

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Potential Energy
Epot(MMFF94)=8.50415 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: 0.0956873  Sterimol/B1: 2.87245  Sterimol/B2: 2.98291  Sterimol/B3: 3.34751
  Sterimol/B4: 3.74114  Sterimol/L: 12.7236 
 
 Surface and Volume Properties
  Accessible surface: 373.05  Positive charged surface: 188.575  Negative charged surface: 184.474  Volume: 162.25
  Hydrophobic surface: 132.054  Hydrophilic surface: 240.996
 
 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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MMs03767080
PUBCHEM-ZINC06494205