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


PUBCHEM-ZINC06411665

 MMsINC code: MMs03714862
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(C(=O)C(NCCNC(CC)C(OCC)=O)CC)CC
InChI:   InChI=1/C14H28N2O4/c1-5-11(13(17)19-7-3)15-9-10-16-12(6-2)14(18)20-8-4/h11-12,15-16H,5-10H2,1-4H3/t11-,12-/m0/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)=58.1603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -1.65314  SlogP: 0.849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371196  Sterimol/B1: 1.969  Sterimol/B2: 3.44871  Sterimol/B3: 4.40512
  Sterimol/B4: 7.06037  Sterimol/L: 18.5393 
 
 Surface and Volume Properties
  Accessible surface: 619.383  Positive charged surface: 462.209  Negative charged surface: 157.174  Volume: 301.125
  Hydrophobic surface: 449.584  Hydrophilic surface: 169.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.