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


PUBCHEM-ZINC05464305

 MMsINC code: MMs03277167
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NC(CCCCC)C)C(C)C
InChI:   InChI=1/C11H23NO/c1-5-6-7-8-10(4)12-11(13)9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13)/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)=4.80585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.57586  SlogP: 2.7274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683928  Sterimol/B1: 2.81683  Sterimol/B2: 3.07333  Sterimol/B3: 3.17962
  Sterimol/B4: 6.60288  Sterimol/L: 13.6757 
 
 Surface and Volume Properties
  Accessible surface: 461.434  Positive charged surface: 346.243  Negative charged surface: 115.192  Volume: 220.25
  Hydrophobic surface: 349.212  Hydrophilic surface: 112.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.