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PUBCHEM-ZINC05820328

 MMsINC code: MMs03399330
Type: Ionized
Formula: C8H17O5P-2
SMILES:   P(OCCOCCCCCC)(=O)([O-])[O-]
InChI:   InChI=1/C8H19O5P/c1-2-3-4-5-6-12-7-8-13-14(9,10)11/h2-8H2,1H3,(H2,9,10,11)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.504404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.193 g/mol  logS: -1.5359  SlogP: -0.6416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473467  Sterimol/B1: 2.8565  Sterimol/B2: 3.67348  Sterimol/B3: 3.69837
  Sterimol/B4: 4.09396  Sterimol/L: 16.8169 
 
 Surface and Volume Properties
  Accessible surface: 475.312  Positive charged surface: 307.028  Negative charged surface: 168.284  Volume: 205.75
  Hydrophobic surface: 310.825  Hydrophilic surface: 164.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs03399329
PUBCHEM-ZINC05820328