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


PUBCHEM-ZINC05828488

 MMsINC code: MMs03403962
Type: Ionized
Formula: C17H32FO2-
SMILES:   FCCCCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C17H33FO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)/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)=1.48474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.439 g/mol  logS: -6.32517  SlogP: 4.5573  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0118598  Sterimol/B1: 2.37503  Sterimol/B2: 2.3773  Sterimol/B3: 3.01565
  Sterimol/B4: 3.02608  Sterimol/L: 25.6785 
 
 Surface and Volume Properties
  Accessible surface: 665.978  Positive charged surface: 505.229  Negative charged surface: 160.749  Volume: 319.5
  Hydrophobic surface: 532.826  Hydrophilic surface: 133.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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: 0
  search links for this molecule:  
   
Parent related molecule:


MMs03403961
PUBCHEM-ZINC05828488