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


ASINEX-ZINC01365286

 MMsINC code: MMs00248503
Type: Neutral
Formula: C22H25F3N2O3
SMILES:   FC(F)(F)C(=O)N(C(C(=O)NC1CCCCC1)c1occc1)CCc1ccccc1
InChI:   InChI=1/C22H25F3N2O3/c23-22(24,25)21(29)27(14-13-16-8-3-1-4-9-16)19(18-12-7-15-30-18)20(28)26-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,19H,2,5-6,10-11,13-14H2,(H,26,28)/t19-/m0/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)=126.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.447 g/mol  logS: -5.73266  SlogP: 4.91857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133213  Sterimol/B1: 3.19558  Sterimol/B2: 3.37787  Sterimol/B3: 6.18469
  Sterimol/B4: 9.38196  Sterimol/L: 16.9977 
 
 Surface and Volume Properties
  Accessible surface: 671.205  Positive charged surface: 371.658  Negative charged surface: 299.547  Volume: 385.625
  Hydrophobic surface: 556.226  Hydrophilic surface: 114.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.