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


PUBCHEM-ZINC05113690

 MMsINC code: MMs03201863
Type: Ionized
Formula: C2H7NO7P2-2
SMILES:   P(O)(O)(=O)NCCOP(=O)([O-])[O-]
InChI:   InChI=1/C2H9NO7P2/c4-11(5,6)3-1-2-10-12(7,8)9/h1-2H2,(H2,7,8,9)(H3,3,4,5,6)/p-2

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)=-108.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.026 g/mol  logS: 1.65361  SlogP: -4.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178603  Sterimol/B1: 2.365  Sterimol/B2: 2.70771  Sterimol/B3: 3.85684
  Sterimol/B4: 3.99713  Sterimol/L: 10.7744 
 
 Surface and Volume Properties
  Accessible surface: 346.987  Positive charged surface: 144.446  Negative charged surface: 202.54  Volume: 142.125
  Hydrophobic surface: 65.1995  Hydrophilic surface: 281.7875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs03201862
PUBCHEM-ZINC05113690