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


ASINEX-ZINC04306749

MMsINC code: MMs00323792

Type: Neutral
Formula: C20H20FN3O
SMILES:   Fc1ccccc1C(=O)N1CCN(CC1)Cc1c2c([nH]c1)cccc2
InChI:   InChI=1/C20H20FN3O/c21-18-7-3-1-6-17(18)20(25)24-11-9-23(10-12-24)14-15-13-22-19-8-4-2-5-16(15)19/h1-8,13,22H,9-12,14H2

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)=92.3407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.398 g/mol  logS: -3.82453  SlogP: 3.5314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659765  Sterimol/B1: 2.56321  Sterimol/B2: 3.61539  Sterimol/B3: 3.94659
  Sterimol/B4: 6.66944  Sterimol/L: 17.1865 
 
 Surface and Volume Properties
  Accessible surface: 584.582  Positive charged surface: 363.007  Negative charged surface: 217.879  Volume: 324.375
  Hydrophobic surface: 505.951  Hydrophilic surface: 78.631
 
 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


MMs00323793
ASINEX-ZINC04306749