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


PUBCHEM-ZINC03677298

 MMsINC code: MMs03039367
Type: Neutral
Formula: C11H22N2O
SMILES:   OC(CN1CCNCC1)C1CCCC1
InChI:   InChI=1/C11H22N2O/c14-11(10-3-1-2-4-10)9-13-7-5-12-6-8-13/h10-12,14H,1-9H2/t11-/m0/s1

Download   format file 
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)=59.9129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.31 g/mol  logS: -0.86082  SlogP: 0.4427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116682  Sterimol/B1: 2.47143  Sterimol/B2: 3.11067  Sterimol/B3: 4.29399
  Sterimol/B4: 4.91979  Sterimol/L: 13.2659 
 
 Surface and Volume Properties
  Accessible surface: 434.467  Positive charged surface: 376.794  Negative charged surface: 57.6736  Volume: 216.25
  Hydrophobic surface: 364.704  Hydrophilic surface: 69.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03039368
PUBCHEM-ZINC03677298