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


ENAMINE-ZINC06934757

 MMsINC code: MMs01713000
Type: Neutral
Formula: C20H26N2O2
SMILES:   O(CCCNC(=O)CN(C(c1ccccc1)c1ccccc1)C)C
InChI:   InChI=1/C20H26N2O2/c1-22(16-19(23)21-14-9-15-24-2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,20H,9,14-16H2,1-2H3,(H,21,23)

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)=94.562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.44 g/mol  logS: -3.54121  SlogP: 2.956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694789  Sterimol/B1: 2.13491  Sterimol/B2: 2.89662  Sterimol/B3: 4.87209
  Sterimol/B4: 8.61525  Sterimol/L: 18.9437 
 
 Surface and Volume Properties
  Accessible surface: 634.132  Positive charged surface: 466.102  Negative charged surface: 168.029  Volume: 344
  Hydrophobic surface: 585.391  Hydrophilic surface: 48.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01713001
ENAMINE-ZINC06934757