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


PUBCHEM-ZINC01529626

 MMsINC code: MMs02812958
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OCC(O)C(O)C(=O)CO)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/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)=-27.9334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.10069  SlogP: -3.6913  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0802579  Sterimol/B1: 2.86643  Sterimol/B2: 3.46068  Sterimol/B3: 3.63369
  Sterimol/B4: 3.72896  Sterimol/L: 13.2598 
 
 Surface and Volume Properties
  Accessible surface: 403.141  Positive charged surface: 235.135  Negative charged surface: 168.007  Volume: 171.25
  Hydrophobic surface: 93.4397  Hydrophilic surface: 309.7013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02812959
PUBCHEM-ZINC01529626