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


ASINEX-ZINC00755606

 MMsINC code: MMs00157272
Type: Neutral
Formula: C19H21F3N2O
SMILES:   FC(F)(F)c1cc(ccc1)CN1CCN(CC1)c1ccc(OC)cc1
InChI:   InChI=1/C19H21F3N2O/c1-25-18-7-5-17(6-8-18)24-11-9-23(10-12-24)14-15-3-2-4-16(13-15)19(20,21)22/h2-8,13H,9-12,14H2,1H3

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)=160.006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.384 g/mol  logS: -4.23385  SlogP: 4.6141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102541  Sterimol/B1: 2.82818  Sterimol/B2: 3.41028  Sterimol/B3: 5.12408
  Sterimol/B4: 5.26679  Sterimol/L: 17.8514 
 
 Surface and Volume Properties
  Accessible surface: 597.557  Positive charged surface: 365.723  Negative charged surface: 231.834  Volume: 322.25
  Hydrophobic surface: 463.785  Hydrophilic surface: 133.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00157273
ASINEX-ZINC00755606