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


PUBCHEM-ZINC05134459

 MMsINC code: MMs03209428
Type: Ionized
Formula: C6H11O6P-2
SMILES:   P(OC1CCCC(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O6P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/p-2/t4-,5+,6-/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)=3.97475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.122 g/mol  logS: 0.33231  SlogP: -2.9642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191842  Sterimol/B1: 2.3705  Sterimol/B2: 3.09303  Sterimol/B3: 3.17718
  Sterimol/B4: 5.48678  Sterimol/L: 10.8636 
 
 Surface and Volume Properties
  Accessible surface: 355.578  Positive charged surface: 186.559  Negative charged surface: 169.019  Volume: 163.5
  Hydrophobic surface: 158.72  Hydrophilic surface: 196.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 3  Basic groups: 0
  Chiral centers: 3
 
 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:  
   
Parent related molecule:


MMs03209427
PUBCHEM-ZINC05134459