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


ASINEX-ZINC00236334

 MMsINC code: MMs00095849
Type: Neutral
Formula: C16H30N2O6
SMILES:   O1CCN(CCOCCN(CC1)CC(OCC)=O)CC(OCC)=O
InChI:   InChI=1/C16H30N2O6/c1-3-23-15(19)13-17-5-9-21-11-7-18(8-12-22-10-6-17)14-16(20)24-4-2/h3-14H2,1-2H3

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)=154.002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.424 g/mol  logS: -1.2912  SlogP: -0.2366  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0919918  Sterimol/B1: 2.57259  Sterimol/B2: 2.89468  Sterimol/B3: 4.75768
  Sterimol/B4: 8.3322  Sterimol/L: 17.6174 
 
 Surface and Volume Properties
  Accessible surface: 623.038  Positive charged surface: 531.209  Negative charged surface: 91.8293  Volume: 341
  Hydrophobic surface: 512.438  Hydrophilic surface: 110.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs00095850
ASINEX-ZINC00236334