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


PUBCHEM-ZINC06364573

 MMsINC code: MMs03688664
Type: Neutral
Formula: C18H23F3N2O3
SMILES:   FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
InChI:   InChI=1/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/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)=98.0158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.387 g/mol  logS: -4.74617  SlogP: 2.81597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.277777  Sterimol/B1: 2.62629  Sterimol/B2: 3.60071  Sterimol/B3: 7.48032
  Sterimol/B4: 8.3946  Sterimol/L: 13.89 
 
 Surface and Volume Properties
  Accessible surface: 617.856  Positive charged surface: 325.728  Negative charged surface: 292.127  Volume: 337.625
  Hydrophobic surface: 399.924  Hydrophilic surface: 217.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.