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PUBCHEM-ZINC05821459

 MMsINC code: MMs03400502
Type: Ionized
Formula: C8H17O6P-2
SMILES:   P(OCCOCCOCCCC)(=O)([O-])[O-]
InChI:   InChI=1/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)/p-2

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Potential Energy
Epot(MMFF94)=14.7719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.192 g/mol  logS: -0.6481  SlogP: -1.4052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608954  Sterimol/B1: 2.69152  Sterimol/B2: 3.29571  Sterimol/B3: 4.51658
  Sterimol/B4: 5.28752  Sterimol/L: 16.2403 
 
 Surface and Volume Properties
  Accessible surface: 495.482  Positive charged surface: 331.563  Negative charged surface: 163.919  Volume: 214.375
  Hydrophobic surface: 330.07  Hydrophilic surface: 165.412
 
 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:


MMs03400501
PUBCHEM-ZINC05821459