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


ENAMINE-ZINC05437683

MMsINC code: MMs01612455

Type: Neutral
Formula: C22H26N2O3
SMILES:   O(CC(=O)NC1CCCCC1)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C22H26N2O3/c25-21(24-18-11-5-2-6-12-18)16-27-20-14-8-7-13-19(20)22(26)23-15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,23,26)(H,24,25)

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)=77.5562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.461 g/mol  logS: -4.993  SlogP: 3.7107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357229  Sterimol/B1: 2.47612  Sterimol/B2: 3.60761  Sterimol/B3: 3.65578
  Sterimol/B4: 8.88655  Sterimol/L: 20.3965 
 
 Surface and Volume Properties
  Accessible surface: 687.198  Positive charged surface: 457.775  Negative charged surface: 229.423  Volume: 368.625
  Hydrophobic surface: 606.345  Hydrophilic surface: 80.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.