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


ENAMINE-ZINC05442952

 MMsINC code: MMs01612836
Type: Neutral
Formula: C19H18F3NO
SMILES:   FC(F)(F)c1cc(ccc1)CC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C19H18F3NO/c20-19(21,22)15-8-3-5-13(11-15)12-18(24)23-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,23,24)/t17-/m1/s1

Download   format file 
Drug Similarity  |  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)=78.1566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.353 g/mol  logS: -5.31779  SlogP: 4.84864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517431  Sterimol/B1: 2.53871  Sterimol/B2: 3.13064  Sterimol/B3: 3.62469
  Sterimol/B4: 7.57752  Sterimol/L: 14.9149 
 
 Surface and Volume Properties
  Accessible surface: 556.921  Positive charged surface: 293.262  Negative charged surface: 263.659  Volume: 302.875
  Hydrophobic surface: 424.633  Hydrophilic surface: 132.288
 
 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.