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


PUBCHEM-ZINC05512927

 MMsINC code: MMs03292888
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OCCCCC)(OCC)(OCC)=O
InChI:   InChI=1/C9H21O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h4-9H2,1-3H3

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)=-15.545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -2.07978  SlogP: 2.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557464  Sterimol/B1: 3.08497  Sterimol/B2: 3.98529  Sterimol/B3: 4.47338
  Sterimol/B4: 5.54684  Sterimol/L: 15.7814 
 
 Surface and Volume Properties
  Accessible surface: 496.693  Positive charged surface: 360.38  Negative charged surface: 136.313  Volume: 226.5
  Hydrophobic surface: 371.419  Hydrophilic surface: 125.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.