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


PUBCHEM-ZINC03163843

 MMsINC code: MMs03003885
Type: Neutral
Formula: C11H15F3NP
SMILES:   P(Nc1cc(ccc1)C(F)(F)F)(CC)CC
InChI:   InChI=1/C11H15F3NP/c1-3-16(4-2)15-10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3

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)=50.363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.216 g/mol  logS: -2.48386  SlogP: 4.8655  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161476  Sterimol/B1: 2.36604  Sterimol/B2: 3.71182  Sterimol/B3: 4.21844
  Sterimol/B4: 6.79634  Sterimol/L: 13.0517 
 
 Surface and Volume Properties
  Accessible surface: 463.648  Positive charged surface: 253.103  Negative charged surface: 210.545  Volume: 226.5
  Hydrophobic surface: 299.325  Hydrophilic surface: 164.323
 
 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.