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


PUBCHEM-ZINC06042588

 MMsINC code: MMs03509330
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(N(CCCC)CCCC)C1CC1
InChI:   InChI=1/C12H23NO/c1-3-5-9-13(10-6-4-2)12(14)11-7-8-11/h11H,3-10H2,1-2H3

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)=15.9745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -2.05438  SlogP: 2.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924703  Sterimol/B1: 2.14718  Sterimol/B2: 2.8431  Sterimol/B3: 3.27633
  Sterimol/B4: 8.43539  Sterimol/L: 13.241 
 
 Surface and Volume Properties
  Accessible surface: 469.775  Positive charged surface: 349.407  Negative charged surface: 120.368  Volume: 232.25
  Hydrophobic surface: 366.438  Hydrophilic surface: 103.337
 
 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.