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


CHEMBRIDGE-ZINC02277234

 MMsINC code: MMs00705903
Type: Neutral
Formula: C11H16FO4P
SMILES:   P(OCC)(OCC)(=O)C(O)c1ccccc1F
InChI:   InChI=1/C11H16FO4P/c1-3-15-17(14,16-4-2)11(13)9-7-5-6-8-10(9)12/h5-8,11,13H,3-4H2,1-2H3/t11-/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)=54.3907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.217 g/mol  logS: -2.00687  SlogP: 2.108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0788496  Sterimol/B1: 2.11475  Sterimol/B2: 3.30394  Sterimol/B3: 3.49007
  Sterimol/B4: 7.81708  Sterimol/L: 13.6522 
 
 Surface and Volume Properties
  Accessible surface: 479.263  Positive charged surface: 300.542  Negative charged surface: 178.721  Volume: 235.125
  Hydrophobic surface: 367.21  Hydrophilic surface: 112.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.