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


CHEMBRIDGE-ZINC04703443

 MMsINC code: MMs00778824
Type: Neutral
Formula: C26H36N2O2
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)CN1CCC(N2CCCCCC2)CC1
InChI:   InChI=1/C26H36N2O2/c1-29-26-19-23(11-12-25(26)30-21-22-9-5-4-6-10-22)20-27-17-13-24(14-18-27)28-15-7-2-3-8-16-28/h4-6,9-12,19,24H,2-3,7-8,13-18,20-21H2,1H3

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)=111.444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.586 g/mol  logS: -4.53118  SlogP: 5.6474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843421  Sterimol/B1: 2.40028  Sterimol/B2: 2.46826  Sterimol/B3: 6.98288
  Sterimol/B4: 8.25245  Sterimol/L: 20.4045 
 
 Surface and Volume Properties
  Accessible surface: 752.143  Positive charged surface: 572.278  Negative charged surface: 179.865  Volume: 432.625
  Hydrophobic surface: 727.895  Hydrophilic surface: 24.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00778825
CHEMBRIDGE-ZINC04703443