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PUBCHEM-ZINC04521602

 MMsINC code: MMs03127851
Type: Ionized
Formula: C6H11O9P-2
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4+,5-,6+

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Potential Energy
Epot(MMFF94)=8.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 1.54524  SlogP: -6.0518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237494  Sterimol/B1: 3.45144  Sterimol/B2: 3.93423  Sterimol/B3: 4.06836
  Sterimol/B4: 4.98469  Sterimol/L: 9.94116 
 
 Surface and Volume Properties
  Accessible surface: 371.628  Positive charged surface: 175.764  Negative charged surface: 195.864  Volume: 179.875
  Hydrophobic surface: 85.4162  Hydrophilic surface: 286.2118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03127850
PUBCHEM-ZINC04521602