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PUBCHEM-ZINC06753316

 MMsINC code: MMs03850377
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+/m0/s1

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Potential Energy
Epot(MMFF94)=-44.3583 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: 0.0602751  Sterimol/B1: 2.44058  Sterimol/B2: 3.32568  Sterimol/B3: 3.5808
  Sterimol/B4: 3.83791  Sterimol/L: 14.2516 
 
 Surface and Volume Properties
  Accessible surface: 406.3  Positive charged surface: 260.824  Negative charged surface: 145.476  Volume: 169.375
  Hydrophobic surface: 121.547  Hydrophilic surface: 284.753
 
 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


MMs03850378
PUBCHEM-ZINC06753316