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


PUBCHEM-ZINC01846027

MMsINC code: MMs02823984

Type: Neutral
Formula: C5H12FN
SMILES:   FCCCCCN
InChI:   InChI=1/C5H12FN/c6-4-2-1-3-5-7/h1-5,7H2

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)=-2.01955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.156 g/mol  logS: -0.2109  SlogP: 1.0849  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0796399  Sterimol/B1: 2.34148  Sterimol/B2: 2.50656  Sterimol/B3: 2.60334
  Sterimol/B4: 3.16148  Sterimol/L: 10.9487 
 
 Surface and Volume Properties
  Accessible surface: 302.138  Positive charged surface: 236.91  Negative charged surface: 65.2275  Volume: 116.75
  Hydrophobic surface: 197.365  Hydrophilic surface: 104.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  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: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02823985
PUBCHEM-ZINC01846027