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


ALFAAESAR-ZINC00528010

 MMsINC code: MMs00021098
Type: Neutral
Formula: C7H7F2NO
SMILES:   FC(F)Oc1ccccc1N
InChI:   InChI=1/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2

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)=45.2576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.135 g/mol  logS: -1.24001  SlogP: 2.2901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362928  Sterimol/B1: 2.63703  Sterimol/B2: 2.63909  Sterimol/B3: 3.23022
  Sterimol/B4: 5.44843  Sterimol/L: 9.55231 
 
 Surface and Volume Properties
  Accessible surface: 316.234  Positive charged surface: 173.118  Negative charged surface: 143.116  Volume: 132.875
  Hydrophobic surface: 176.362  Hydrophilic surface: 139.872
 
 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: no related molecules available.