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


CHEMBRIDGE-ZINC00672746

 MMsINC code: MMs00639293
Type: Neutral
Formula: C20H20F2N2O2
SMILES:   Fc1ccc(cc1)C(=O)NC1CCCCC1NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C20H20F2N2O2/c21-15-9-5-13(6-10-15)19(25)23-17-3-1-2-4-18(17)24-20(26)14-7-11-16(22)12-8-14/h5-12,17-18H,1-4H2,(H,23,25)(H,24,26)/t17-,18-/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)=62.6721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.388 g/mol  logS: -5.01736  SlogP: 3.4358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131918  Sterimol/B1: 2.89483  Sterimol/B2: 4.34899  Sterimol/B3: 4.78427
  Sterimol/B4: 8.27966  Sterimol/L: 14.3484 
 
 Surface and Volume Properties
  Accessible surface: 605.686  Positive charged surface: 329.039  Negative charged surface: 276.647  Volume: 328.75
  Hydrophobic surface: 548.897  Hydrophilic surface: 56.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.