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


CHEMDIV-ZINC00220854

 MMsINC code: MMs00843451
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C15H26N2O2/c1-3-11(2)17-10-12(9-14(17)18)15(19)16-13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t11-,12-/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)=13.1876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.94426  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101268  Sterimol/B1: 2.32378  Sterimol/B2: 3.61966  Sterimol/B3: 3.63195
  Sterimol/B4: 6.97968  Sterimol/L: 15.3065 
 
 Surface and Volume Properties
  Accessible surface: 517.377  Positive charged surface: 397.915  Negative charged surface: 119.462  Volume: 282.5
  Hydrophobic surface: 432.39  Hydrophilic surface: 84.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.