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


ASINEX-ZINC04999707

 MMsINC code: MMs00428689
Type: Neutral
Formula: C23H26N2O2
SMILES:   O(Cc1ccc(cc1)C)c1ccc(cc1OCC)CNCc1cccnc1
InChI:   InChI=1/C23H26N2O2/c1-3-26-23-13-20(14-25-16-21-5-4-12-24-15-21)10-11-22(23)27-17-19-8-6-18(2)7-9-19/h4-13,15,25H,3,14,16-17H2,1-2H3

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)=92.3485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -4.30493  SlogP: 5.45672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759684  Sterimol/B1: 2.3742  Sterimol/B2: 3.83587  Sterimol/B3: 5.01721
  Sterimol/B4: 9.37043  Sterimol/L: 20.2538 
 
 Surface and Volume Properties
  Accessible surface: 715.108  Positive charged surface: 495.693  Negative charged surface: 219.415  Volume: 378
  Hydrophobic surface: 639.738  Hydrophilic surface: 75.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00428690
ASINEX-ZINC04999707