logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05820328

 MMsINC code: MMs03399329
Type: Neutral
Formula: C8H19O5P
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)

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-60.2157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.209 g/mol  logS: -1.39286  SlogP: 0.6224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352063  Sterimol/B1: 2.99228  Sterimol/B2: 3.29994  Sterimol/B3: 3.47306
  Sterimol/B4: 4.95332  Sterimol/L: 16.7747 
 
 Surface and Volume Properties
  Accessible surface: 491.47  Positive charged surface: 358.765  Negative charged surface: 132.706  Volume: 211.125
  Hydrophobic surface: 309.46  Hydrophilic surface: 182.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03399330
PUBCHEM-ZINC05820328