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


AURORAFEINCHEMIE-ZINC06566922

 MMsINC code: MMs00477070
Type: Neutral
Formula: C23H20ClN3O
SMILES:   Clc1ccccc1CC(=O)NC(Cc1ccccc1)c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C23H20ClN3O/c24-18-11-5-4-10-17(18)15-22(28)25-21(14-16-8-2-1-3-9-16)23-26-19-12-6-7-13-20(19)27-23/h1-13,21H,14-15H2,(H,25,28)(H,26,27)/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)=78.0894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.886 g/mol  logS: -6.17556  SlogP: 4.95444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10561  Sterimol/B1: 2.45143  Sterimol/B2: 3.3609  Sterimol/B3: 3.64295
  Sterimol/B4: 11.6934  Sterimol/L: 15.4014 
 
 Surface and Volume Properties
  Accessible surface: 657.118  Positive charged surface: 348.576  Negative charged surface: 308.542  Volume: 372.5
  Hydrophobic surface: 610.923  Hydrophilic surface: 46.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.