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


AURORAFEINCHEMIE-ZINC05937875

 MMsINC code: MMs00476615
Type: Neutral
Formula: C23H20ClFN2O2
SMILES:   Clc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C23H20ClFN2O2/c24-19-10-8-18(9-11-19)22(28)27-21(14-16-4-2-1-3-5-16)23(29)26-15-17-6-12-20(25)13-7-17/h1-13,21H,14-15H2,(H,26,29)(H,27,28)/t21-/m0/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)=91.0312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.876 g/mol  logS: -6.33012  SlogP: 4.40297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597329  Sterimol/B1: 2.4079  Sterimol/B2: 3.46922  Sterimol/B3: 3.92901
  Sterimol/B4: 9.15032  Sterimol/L: 19.6284 
 
 Surface and Volume Properties
  Accessible surface: 675.601  Positive charged surface: 337.563  Negative charged surface: 338.037  Volume: 381.125
  Hydrophobic surface: 613.212  Hydrophilic surface: 62.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.