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


PUBCHEM-ZINC05828787

 MMsINC code: MMs03404196
Type: Ionized
Formula: C6H13O8P-2
SMILES:   P(OCC(O)C(O)C(O)CCO)(=O)([O-])[O-]
InChI:   InChI=1/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/p-2/t4-,5-,6+/m1/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)=-1.77483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.136 g/mol  logS: 1.28977  SlogP: -4.7734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776316  Sterimol/B1: 2.789  Sterimol/B2: 3.68005  Sterimol/B3: 3.74161
  Sterimol/B4: 3.89858  Sterimol/L: 14.1531 
 
 Surface and Volume Properties
  Accessible surface: 405.526  Positive charged surface: 218.823  Negative charged surface: 186.703  Volume: 186.625
  Hydrophobic surface: 144.962  Hydrophilic surface: 260.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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:


MMs03404195
PUBCHEM-ZINC05828787