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


ENAMINE-ZINC03259476

 MMsINC code: MMs01335825
Type: Neutral
Formula: C23H21ClN2O2
SMILES:   Clc1ccc(cc1)C(NC(=O)c1ccccc1)CC(=O)NCc1ccccc1
InChI:   InChI=1/C23H21ClN2O2/c24-20-13-11-18(12-14-20)21(26-23(28)19-9-5-2-6-10-19)15-22(27)25-16-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,25,27)(H,26,28)/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)=64.2593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.886 g/mol  logS: -5.85559  SlogP: 4.8795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919822  Sterimol/B1: 3.52253  Sterimol/B2: 4.27862  Sterimol/B3: 6.62276
  Sterimol/B4: 7.92072  Sterimol/L: 16.7646 
 
 Surface and Volume Properties
  Accessible surface: 699.274  Positive charged surface: 359.874  Negative charged surface: 339.4  Volume: 379
  Hydrophobic surface: 632.141  Hydrophilic surface: 67.133
 
 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.