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


PUBCHEM-ZINC06706849

 MMsINC code: MMs03843713
Type: Neutral
Formula: C11H21NO2
SMILES:   O(CC(=O)N1CCCCC1CC)CC
InChI:   InChI=1/C11H21NO2/c1-3-10-7-5-6-8-12(10)11(13)9-14-4-2/h10H,3-9H2,1-2H3/t10-/m1/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)=58.8169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.4101  SlogP: 1.814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0638483  Sterimol/B1: 2.49588  Sterimol/B2: 3.03116  Sterimol/B3: 3.11738
  Sterimol/B4: 7.60855  Sterimol/L: 13.0946 
 
 Surface and Volume Properties
  Accessible surface: 445.369  Positive charged surface: 352.912  Negative charged surface: 92.4573  Volume: 215.875
  Hydrophobic surface: 368.128  Hydrophilic surface: 77.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.