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


PUBCHEM-ZINC06350611

 MMsINC code: MMs03680583
Type: Neutral
Formula: C11H21NO2
SMILES:   O(CC(=O)N1CC(CC(C1)C)C)CC
InChI:   InChI=1/C11H21NO2/c1-4-14-8-11(13)12-6-9(2)5-10(3)7-12/h9-10H,4-8H2,1-3H3/t9-,10-/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)=39.5421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.28466  SlogP: 1.5274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874123  Sterimol/B1: 2.74872  Sterimol/B2: 3.29196  Sterimol/B3: 4.09481
  Sterimol/B4: 4.66852  Sterimol/L: 14.1244 
 
 Surface and Volume Properties
  Accessible surface: 435.898  Positive charged surface: 337.698  Negative charged surface: 98.2002  Volume: 216.5
  Hydrophobic surface: 335.896  Hydrophilic surface: 100.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.