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


PUBCHEM-ZINC05352587

 MMsINC code: MMs03245884
Type: Neutral
Formula: C4H9F2N
SMILES:   FN(F)C(C)(C)C
InChI:   InChI=1/C4H9F2N/c1-4(2,3)7(5)6/h1-3H3

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)=5.5815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 109.119 g/mol  logS: -0.92277  SlogP: 1.8559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.743684  Sterimol/B1: 2.18977  Sterimol/B2: 3.33999  Sterimol/B3: 3.53667
  Sterimol/B4: 4.02686  Sterimol/L: 7.24694 
 
 Surface and Volume Properties
  Accessible surface: 263.322  Positive charged surface: 137.255  Negative charged surface: 126.067  Volume: 102.375
  Hydrophobic surface: 205.996  Hydrophilic surface: 57.326
 
 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.