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


PUBCHEM-ZINC05998406

 MMsINC code: MMs03482448
Type: Neutral
Formula: C2H8O7P2
SMILES:   P(OC)(OP(OC)(O)=O)(O)=O
InChI:   InChI=1/C2H8O7P2/c1-7-10(3,4)9-11(5,6)8-2/h1-2H3,(H,3,4)(H,5,6)

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)=-94.8605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.027 g/mol  logS: 0.69166  SlogP: -1.6438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620595  Sterimol/B1: 2.1013  Sterimol/B2: 2.28397  Sterimol/B3: 3.81429
  Sterimol/B4: 4.23836  Sterimol/L: 11.8519 
 
 Surface and Volume Properties
  Accessible surface: 364.907  Positive charged surface: 238.414  Negative charged surface: 126.493  Volume: 140.875
  Hydrophobic surface: 178.155  Hydrophilic surface: 186.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.