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PUBCHEM-ZINC05859032

 MMsINC code: MMs03421359
Type: Ionized
Formula: C6H13O6P-2
SMILES:   P(OCCOCCOCC)(=O)([O-])[O-]
InChI:   InChI=1/C6H15O6P/c1-2-10-3-4-11-5-6-12-13(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.2752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.138 g/mol  logS: 0.06889  SlogP: -2.1854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899229  Sterimol/B1: 2.39339  Sterimol/B2: 3.42425  Sterimol/B3: 4.33839
  Sterimol/B4: 4.71262  Sterimol/L: 14.0842 
 
 Surface and Volume Properties
  Accessible surface: 432.044  Positive charged surface: 276.543  Negative charged surface: 155.501  Volume: 178.875
  Hydrophobic surface: 264.959  Hydrophilic surface: 167.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs03421358
PUBCHEM-ZINC05859032