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PUBCHEM-ZINC05134472

 MMsINC code: MMs03209440
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+/m0/s1

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Potential Energy
Epot(MMFF94)=-15.0727 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: 0.142713  Sterimol/B1: 2.68959  Sterimol/B2: 2.85273  Sterimol/B3: 3.12722
  Sterimol/B4: 5.62483  Sterimol/L: 10.8525 
 
 Surface and Volume Properties
  Accessible surface: 351.794  Positive charged surface: 184.257  Negative charged surface: 167.538  Volume: 159
  Hydrophobic surface: 168.597  Hydrophilic surface: 183.197
 
 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:


MMs03209439
PUBCHEM-ZINC05134472