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PUBCHEM-ZINC06753323

 MMsINC code: MMs03850383
Type: Neutral
Formula: C5H13O7P
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)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-44.2775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.126 g/mol  logS: 1.23027  SlogP: -2.8703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657926  Sterimol/B1: 2.41693  Sterimol/B2: 3.24327  Sterimol/B3: 3.52411
  Sterimol/B4: 3.68001  Sterimol/L: 14.229 
 
 Surface and Volume Properties
  Accessible surface: 407.057  Positive charged surface: 262.66  Negative charged surface: 144.397  Volume: 170
  Hydrophobic surface: 122.655  Hydrophilic surface: 284.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03850384
PUBCHEM-ZINC06753323