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


PUBCHEM-ZINC05132018

 MMsINC code: MMs03206965
Type: Ionized
Formula: C6H9FO9P-3
SMILES:   P(OCC(O)C(O)C(O)C(F)C(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H12FO9P/c7-3(6(11)12)5(10)4(9)2(8)1-16-17(13,14)15/h2-5,8-10H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3-,4-,5-/m1/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)=8.23388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.101 g/mol  logS: 0.70902  SlogP: -5.6479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812795  Sterimol/B1: 2.89986  Sterimol/B2: 3.18866  Sterimol/B3: 3.60687
  Sterimol/B4: 5.17623  Sterimol/L: 12.9043 
 
 Surface and Volume Properties
  Accessible surface: 401.554  Positive charged surface: 152.206  Negative charged surface: 249.348  Volume: 183.5
  Hydrophobic surface: 90.5546  Hydrophilic surface: 310.9994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 5  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs03206964
PUBCHEM-ZINC05132018