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


PUBCHEM-ZINC02033973

 MMsINC code: MMs02860345
Type: Neutral
Formula: C26H36N2O2
SMILES:   OC(=O)C(CCN1CCCCC1)(CCN1CCCCC1)c1c2c(ccc1)cccc2
InChI:   InChI=1/C26H36N2O2/c29-25(30)26(14-20-27-16-5-1-6-17-27,15-21-28-18-7-2-8-19-28)24-13-9-11-22-10-3-4-12-23(22)24/h3-4,9-13H,1-2,5-8,14-21H2,(H,29,30)

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)=120.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.586 g/mol  logS: -4.75037  SlogP: 4.9142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169726  Sterimol/B1: 2.83313  Sterimol/B2: 2.96663  Sterimol/B3: 7.10497
  Sterimol/B4: 8.07367  Sterimol/L: 17.2524 
 
 Surface and Volume Properties
  Accessible surface: 681.439  Positive charged surface: 512.679  Negative charged surface: 165.696  Volume: 424.125
  Hydrophobic surface: 623.56  Hydrophilic surface: 57.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02860346
PUBCHEM-ZINC02033973