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


PUBCHEM-ZINC05975491

 MMsINC code: MMs03470987
Type: Neutral
Formula: C5H11O9P
SMILES:   P(OCC(O)C(O)C(O)C(O)=O)(O)(O)=O
InChI:   InChI=1/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4-/m0/s1

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)=-23.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.108 g/mol  logS: 1.4362  SlogP: -3.8072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069206  Sterimol/B1: 2.88025  Sterimol/B2: 3.3124  Sterimol/B3: 3.38223
  Sterimol/B4: 3.80232  Sterimol/L: 13.402 
 
 Surface and Volume Properties
  Accessible surface: 412.474  Positive charged surface: 236.136  Negative charged surface: 176.337  Volume: 176.75
  Hydrophobic surface: 65.1674  Hydrophilic surface: 347.3066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03470988
PUBCHEM-ZINC05975491