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


PUBCHEM-ZINC05973138

 MMsINC code: MMs03468631
Type: Ionized
Formula: C10H18FO2-
SMILES:   FC(CCCCCC)CCC(=O)[O-]
InChI:   InChI=1/C10H19FO2/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)/p-1/t9-/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)=3.77562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.25 g/mol  logS: -2.84407  SlogP: 2.2449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322909  Sterimol/B1: 2.39958  Sterimol/B2: 2.44109  Sterimol/B3: 2.68143
  Sterimol/B4: 3.62933  Sterimol/L: 16.6187 
 
 Surface and Volume Properties
  Accessible surface: 445.273  Positive charged surface: 305.85  Negative charged surface: 139.423  Volume: 196.5
  Hydrophobic surface: 301.554  Hydrophilic surface: 143.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs03468630
PUBCHEM-ZINC05973138