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PUBCHEM-ZINC05973158

 MMsINC code: MMs03468646
Type: Neutral
Formula: C8H18O2P+
SMILES:   [P+](OCC)(=O)CCCCCC
InChI:   InChI=1/C8H18O2P/c1-3-5-6-7-8-11(9)10-4-2/h3-8H2,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.204 g/mol  logS: -1.76727  SlogP: 3.3456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259216  Sterimol/B1: 2.37539  Sterimol/B2: 2.37597  Sterimol/B3: 3.13582
  Sterimol/B4: 3.21214  Sterimol/L: 16.4501 
 
 Surface and Volume Properties
  Accessible surface: 439.367  Positive charged surface: 338.36  Negative charged surface: 101.007  Volume: 188.125
  Hydrophobic surface: 335.658  Hydrophilic surface: 103.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Ions/Tautomers related molecules: no related molecules available.