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


NCID-ZINC01612245

 MMsINC code: MMs02262660
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(N(CCCCCCN(C(=O)C)C)C)C
InChI:   InChI=1/C12H24N2O2/c1-11(15)13(3)9-7-5-6-8-10-14(4)12(2)16/h5-10H2,1-4H3

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)=24.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -0.5455  SlogP: 1.5034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387111  Sterimol/B1: 2.68693  Sterimol/B2: 2.80861  Sterimol/B3: 3.65784
  Sterimol/B4: 4.65316  Sterimol/L: 17.1101 
 
 Surface and Volume Properties
  Accessible surface: 519.69  Positive charged surface: 407.688  Negative charged surface: 112.002  Volume: 253
  Hydrophobic surface: 447.595  Hydrophilic surface: 72.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.