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


PUBCHEM-ZINC05821300

 MMsINC code: MMs03400342
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(CC(CC(C)C)(COC(=O)N)C)C(=O)NCCCC
InChI:   InChI=1/C14H28N2O4/c1-5-6-7-16-13(18)20-10-14(4,8-11(2)3)9-19-12(15)17/h11H,5-10H2,1-4H3,(H2,15,17)(H,16,18)/t14-/m0/s1

Download   format file 
Drug Similarity  |  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)=16.8073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -3.39048  SlogP: 2.6604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541069  Sterimol/B1: 2.90703  Sterimol/B2: 4.07032  Sterimol/B3: 4.51916
  Sterimol/B4: 5.06148  Sterimol/L: 19.0032 
 
 Surface and Volume Properties
  Accessible surface: 582.952  Positive charged surface: 431.82  Negative charged surface: 151.132  Volume: 296.875
  Hydrophobic surface: 347.791  Hydrophilic surface: 235.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.