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


ENAMINE-ZINC05829901

 MMsINC code: MMs01641861
Type: Neutral
Formula: C8H8FN
SMILES:   Fc1ccccc1\C=N\C
InChI:   InChI=1/C8H8FN/c1-10-6-7-4-2-3-5-8(7)9/h2-6H,1H3/b10-6+

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)=32.7938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.157 g/mol  logS: -1.78074  SlogP: 1.8744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132928  Sterimol/B1: 2.37416  Sterimol/B2: 2.37584  Sterimol/B3: 3.68449
  Sterimol/B4: 3.9599  Sterimol/L: 11.0405 
 
 Surface and Volume Properties
  Accessible surface: 333.643  Positive charged surface: 224.313  Negative charged surface: 109.33  Volume: 140.125
  Hydrophobic surface: 311.758  Hydrophilic surface: 21.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.