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


PUBCHEM-ZINC05798071

 MMsINC code: MMs03390507
Type: Neutral
Formula: C16H24N2O2
SMILES:   O1CCOc2c1cc(N(CCN1CCCCC1)C)cc2
InChI:   InChI=1/C16H24N2O2/c1-17(9-10-18-7-3-2-4-8-18)14-5-6-15-16(13-14)20-12-11-19-15/h5-6,13H,2-4,7-12H2,1H3

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)=77.8047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -2.21393  SlogP: 2.3799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468267  Sterimol/B1: 2.18169  Sterimol/B2: 3.06826  Sterimol/B3: 3.67856
  Sterimol/B4: 6.7494  Sterimol/L: 16.7593 
 
 Surface and Volume Properties
  Accessible surface: 536.299  Positive charged surface: 447.926  Negative charged surface: 88.3721  Volume: 286.875
  Hydrophobic surface: 507.908  Hydrophilic surface: 28.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03390508
PUBCHEM-ZINC05798071