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


PUBCHEM-ZINC03159869

 MMsINC code: MMs03003140
Type: Neutral
Formula: C11H17O5P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)c1occc1
InChI:   InChI=1/C11H17O5P/c1-8(2)15-17(13,16-9(3)4)11(12)10-6-5-7-14-10/h5-9H,1-4H3

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)=35.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.226 g/mol  logS: -2.827  SlogP: 2.3927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134544  Sterimol/B1: 2.3885  Sterimol/B2: 3.7954  Sterimol/B3: 4.68607
  Sterimol/B4: 6.8743  Sterimol/L: 12.7015 
 
 Surface and Volume Properties
  Accessible surface: 493.516  Positive charged surface: 295.375  Negative charged surface: 198.141  Volume: 241.625
  Hydrophobic surface: 357.165  Hydrophilic surface: 136.351
 
 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.