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


PUBCHEM-ZINC05591201

 MMsINC code: MMs03315828
Type: Neutral
Formula: C11H22N2O2
SMILES:   O1CCN(CC1)C(=O)N(CCC)CCC
InChI:   InChI=1/C11H22N2O2/c1-3-5-12(6-4-2)11(14)13-7-9-15-10-8-13/h3-10H2,1-2H3

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)=113.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -0.74179  SlogP: 1.5606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999065  Sterimol/B1: 2.85866  Sterimol/B2: 3.08339  Sterimol/B3: 3.32716
  Sterimol/B4: 7.02368  Sterimol/L: 12.6123 
 
 Surface and Volume Properties
  Accessible surface: 445.172  Positive charged surface: 354.965  Negative charged surface: 90.2071  Volume: 225.125
  Hydrophobic surface: 357.084  Hydrophilic surface: 88.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.