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


PUBCHEM-ZINC06040991

 MMsINC code: MMs03508774
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(N1CC(CC(C1)C)C)CCCCCC
InChI:   InChI=1/C14H27NO/c1-4-5-6-7-8-14(16)15-10-12(2)9-13(3)11-15/h12-13H,4-11H2,1-3H3/t12-,13-/m0/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)=20.1363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -3.08482  SlogP: 3.4613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593477  Sterimol/B1: 3.32395  Sterimol/B2: 3.83681  Sterimol/B3: 4.08932
  Sterimol/B4: 4.71406  Sterimol/L: 15.7979 
 
 Surface and Volume Properties
  Accessible surface: 506.927  Positive charged surface: 403.563  Negative charged surface: 103.364  Volume: 259.625
  Hydrophobic surface: 420.515  Hydrophilic surface: 86.412
 
 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.