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PUBCHEM-ZINC05134662

 MMsINC code: MMs03209653
Type: Ionized
Formula: C6H11O6P-2
SMILES:   P(OC1CCCC(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O6P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/p-2/t4-,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=7.50598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.122 g/mol  logS: 0.33231  SlogP: -2.9642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247793  Sterimol/B1: 2.61943  Sterimol/B2: 2.91392  Sterimol/B3: 4.01068
  Sterimol/B4: 4.85611  Sterimol/L: 10.9006 
 
 Surface and Volume Properties
  Accessible surface: 355.016  Positive charged surface: 189.059  Negative charged surface: 165.957  Volume: 162.75
  Hydrophobic surface: 157.645  Hydrophilic surface: 197.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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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Parent related molecule:


MMs03209652
PUBCHEM-ZINC05134662