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


PUBCHEM-ZINC05829810

 MMsINC code: MMs03404783
Type: Ionized
Formula: C4H10NO8P-2
SMILES:   P(OCC(O)C(O)C(O)NO)(=O)([O-])[O-]
InChI:   InChI=1/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/p-2/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)=15.6001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.097 g/mol  logS: 1.91352  SlogP: -5.2195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188076  Sterimol/B1: 2.74589  Sterimol/B2: 3.04522  Sterimol/B3: 3.75192
  Sterimol/B4: 4.62135  Sterimol/L: 11.2016 
 
 Surface and Volume Properties
  Accessible surface: 359.364  Positive charged surface: 174.175  Negative charged surface: 185.189  Volume: 160.875
  Hydrophobic surface: 69.953  Hydrophilic surface: 289.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   
Parent related molecule:


MMs03404782
PUBCHEM-ZINC05829810