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PUBCHEM-ZINC03580967

 MMsINC code: MMs03016924
Type: Ionized
Formula: C6H13O8P-2
SMILES:   P(OCC(O)C(O)C(O)CCO)(=O)([O-])[O-]
InChI:   InChI=1/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/p-2/t4-,5+,6+/m1/s1

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Potential Energy
Epot(MMFF94)=7.30804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.136 g/mol  logS: 1.28977  SlogP: -4.7734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951299  Sterimol/B1: 2.97225  Sterimol/B2: 3.05497  Sterimol/B3: 3.41882
  Sterimol/B4: 3.45335  Sterimol/L: 14.2005 
 
 Surface and Volume Properties
  Accessible surface: 407.482  Positive charged surface: 223.338  Negative charged surface: 184.144  Volume: 185.25
  Hydrophobic surface: 146.836  Hydrophilic surface: 260.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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:


MMs03016923
PUBCHEM-ZINC03580967