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


ALFAAESAR-ZINC04265910

 MMsINC code: MMs00024655
Type: Tautomer
Formula: C7H11F6N
SMILES:   FC(C(F)(F)N(CC)CC)C(F)(F)F
InChI:   InChI=1/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3/t5-/m0/s1

Download   format file 
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)=28.3296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.16 g/mol  logS: -2.30883  SlogP: 4.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177187  Sterimol/B1: 2.50436  Sterimol/B2: 2.52838  Sterimol/B3: 3.83009
  Sterimol/B4: 5.31686  Sterimol/L: 10.9898 
 
 Surface and Volume Properties
  Accessible surface: 356.171  Positive charged surface: 159.213  Negative charged surface: 196.958  Volume: 166.625
  Hydrophobic surface: 153.105  Hydrophilic surface: 203.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs00024654
ALFAAESAR-ZINC04265910