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PUBCHEM-ZINC03626069

 MMsINC code: MMs03025890
Type: Ionized
Formula: C8H16O5P-
SMILES:   P(OCCCCCC)(O)(=O)CC(=O)[O-]
InChI:   InChI=1/C8H17O5P/c1-2-3-4-5-6-13-14(11,12)7-8(9)10/h2-7H2,1H3,(H,9,10)(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-66.7198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.185 g/mol  logS: -1.59713  SlogP: -0.5516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424143  Sterimol/B1: 2.68474  Sterimol/B2: 2.79713  Sterimol/B3: 3.57865
  Sterimol/B4: 3.81689  Sterimol/L: 16.5341 
 
 Surface and Volume Properties
  Accessible surface: 452.656  Positive charged surface: 284.354  Negative charged surface: 168.302  Volume: 199.625
  Hydrophobic surface: 268.929  Hydrophilic surface: 183.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03025889
PUBCHEM-ZINC03626069