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


PUBCHEM-ZINC05591352

 MMsINC code: MMs03315909
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCCCC1)C(CCC)C
InChI:   InChI=1/C11H21NO/c1-3-7-10(2)11(13)12-8-5-4-6-9-12/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)=17.4595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.85261  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138241  Sterimol/B1: 2.28025  Sterimol/B2: 2.70035  Sterimol/B3: 4.15714
  Sterimol/B4: 6.40363  Sterimol/L: 11.6148 
 
 Surface and Volume Properties
  Accessible surface: 412.439  Positive charged surface: 318.09  Negative charged surface: 94.3481  Volume: 206.625
  Hydrophobic surface: 344.51  Hydrophilic surface: 67.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.