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


PUBCHEM-ZINC06120831

 MMsINC code: MMs03548674
Type: Neutral
Formula: C8H10F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)NC(CC)C
InChI:   InChI=1/C8H10F7NO/c1-3-4(2)16-5(17)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)/t4-/m0/s1

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)=41.3853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.16 g/mol  logS: -3.10897  SlogP: 3.9937  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0954971  Sterimol/B1: 2.1611  Sterimol/B2: 2.81106  Sterimol/B3: 3.08876
  Sterimol/B4: 5.98239  Sterimol/L: 12.2068 
 
 Surface and Volume Properties
  Accessible surface: 410.23  Positive charged surface: 156.996  Negative charged surface: 253.234  Volume: 187.75
  Hydrophobic surface: 145.766  Hydrophilic surface: 264.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:  
   

Ions/Tautomers related molecules: no related molecules available.