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


ACROSORGANICS-ZINC00409208

 MMsINC code: MMs00007933
Type: Neutral
Formula: C6H5F2N
SMILES:   Fc1c(N)cccc1F
InChI:   InChI=1/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

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)=32.4456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.109 g/mol  logS: -1.69572  SlogP: 1.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.13731e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09899  Sterimol/B3: 2.42723
  Sterimol/B4: 5.09824  Sterimol/L: 8.67819 
 
 Surface and Volume Properties
  Accessible surface: 276.897  Positive charged surface: 142.259  Negative charged surface: 134.639  Volume: 107.875
  Hydrophobic surface: 216.814  Hydrophilic surface: 60.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.