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


ASINEX-ZINC04971307

 MMsINC code: MMs00418946
Type: Neutral
Formula: C23H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N1CCCc2c1cccc2
InChI:   InChI=1/C23H19FN2OS/c24-18-9-7-16(8-10-18)15-26-20-11-13-28-22(20)14-21(26)23(27)25-12-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-11,13-14H,3,5,12,15H2

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)=118.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.482 g/mol  logS: -5.65678  SlogP: 5.74957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485779  Sterimol/B1: 3.19526  Sterimol/B2: 3.44757  Sterimol/B3: 3.68728
  Sterimol/B4: 8.80178  Sterimol/L: 15.2817 
 
 Surface and Volume Properties
  Accessible surface: 609.452  Positive charged surface: 316.724  Negative charged surface: 292.728  Volume: 360.25
  Hydrophobic surface: 585.07  Hydrophilic surface: 24.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.