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


PUBCHEM-ZINC06360414

 MMsINC code: MMs03686123
Type: Neutral
Formula: C4H12NO8P2+
SMILES:   [P+](O)(O)(O)CN(CC(O)=O)CP(O)(O)=O
InChI:   InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h8-10H,1-3H2,(H2-,6,7,11,12,13)/p+1

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)=11.9083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.087 g/mol  logS: 2.51529  SlogP: -2.865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230413  Sterimol/B1: 2.51182  Sterimol/B2: 3.99124  Sterimol/B3: 4.45206
  Sterimol/B4: 5.46351  Sterimol/L: 11.5572 
 
 Surface and Volume Properties
  Accessible surface: 409.702  Positive charged surface: 240.302  Negative charged surface: 169.4  Volume: 187.875
  Hydrophobic surface: 62.6594  Hydrophilic surface: 347.0426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03686124
PUBCHEM-ZINC06360414