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


CHEMDIV-ZINC01900286

 MMsINC code: MMs00869273
Type: Neutral
Formula: C20H19F2NO
SMILES:   Fc1ccccc1CNCCC(c1ccc(F)cc1)c1occc1
InChI:   InChI=1/C20H19F2NO/c21-17-9-7-15(8-10-17)18(20-6-3-13-24-20)11-12-23-14-16-4-1-2-5-19(16)22/h1-10,13,18,23H,11-12,14H2/t18-/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)=52.5529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.374 g/mol  logS: -5.14051  SlogP: 5.136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109081  Sterimol/B1: 3.10936  Sterimol/B2: 3.26835  Sterimol/B3: 4.7054
  Sterimol/B4: 7.56637  Sterimol/L: 16.6646 
 
 Surface and Volume Properties
  Accessible surface: 600.639  Positive charged surface: 324.586  Negative charged surface: 276.054  Volume: 316.75
  Hydrophobic surface: 579.51  Hydrophilic surface: 21.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00869274
CHEMDIV-ZINC01900286