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


PUBCHEM-ZINC06115746

 MMsINC code: MMs03544736
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(N(C(CC)C)C(CC)C)CC
InChI:   InChI=1/C11H23NO/c1-6-9(4)12(10(5)7-2)11(13)8-3/h9-10H,6-8H2,1-5H3/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)=66.4976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.57863  SlogP: 2.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.552061  Sterimol/B1: 2.22507  Sterimol/B2: 3.58163  Sterimol/B3: 5.01951
  Sterimol/B4: 6.6862  Sterimol/L: 9.65339 
 
 Surface and Volume Properties
  Accessible surface: 397.705  Positive charged surface: 284.723  Negative charged surface: 112.982  Volume: 213.875
  Hydrophobic surface: 297.839  Hydrophilic surface: 99.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.