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


ACROSORGANICS-ZINC01569421

 MMsINC code: MMs00009286
Type: Neutral
Formula: C6H3FINO2
SMILES:   Ic1cc([N+](=O)[O-])cc(F)c1
InChI:   InChI=1/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

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)=27.773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.997 g/mol  logS: -3.46161  SlogP: 2.3385  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.74678e-07  Sterimol/B1: 2.35667  Sterimol/B2: 2.35933  Sterimol/B3: 2.92768
  Sterimol/B4: 6.21139  Sterimol/L: 9.86787 
 
 Surface and Volume Properties
  Accessible surface: 332.565  Positive charged surface: 74.0168  Negative charged surface: 258.548  Volume: 145.25
  Hydrophobic surface: 249.435  Hydrophilic surface: 83.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.