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


ENAMINE-ZINC03506819

 MMsINC code: MMs01480216
Type: Neutral
Formula: C16H19F3N2O2
SMILES:   FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C16H19F3N2O2/c17-16(18,19)13-6-7-15(23)21(10-13)11-14(22)20-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,20,22)

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)=58.1263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.334 g/mol  logS: -3.81685  SlogP: 3.2576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645209  Sterimol/B1: 2.51909  Sterimol/B2: 4.16131  Sterimol/B3: 4.63454
  Sterimol/B4: 4.79419  Sterimol/L: 17.3615 
 
 Surface and Volume Properties
  Accessible surface: 574.247  Positive charged surface: 328.371  Negative charged surface: 245.876  Volume: 290.375
  Hydrophobic surface: 373.137  Hydrophilic surface: 201.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.