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


PUBCHEM-ZINC06398204

 MMsINC code: MMs03707005
Type: Neutral
Formula: C12H25NO
SMILES:   O=C(N(CCC)CCC)CC(C)(C)C
InChI:   InChI=1/C12H25NO/c1-6-8-13(9-7-2)11(14)10-12(3,4)5/h6-10H2,1-5H3

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)=33.6067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.338 g/mol  logS: -2.46987  SlogP: 3.0712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136875  Sterimol/B1: 2.26142  Sterimol/B2: 3.20595  Sterimol/B3: 3.58774
  Sterimol/B4: 8.35916  Sterimol/L: 12.4608 
 
 Surface and Volume Properties
  Accessible surface: 465.668  Positive charged surface: 346.198  Negative charged surface: 119.47  Volume: 236.25
  Hydrophobic surface: 357.623  Hydrophilic surface: 108.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.