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


ASINEX-ZINC01678793

 MMsINC code: MMs00255697
Type: Neutral
Formula: C10H16N2O4
SMILES:   O1CCN(CC1)C(=O)C(=O)N1CCOCC1
InChI:   InChI=1/C10H16N2O4/c13-9(11-1-5-15-6-2-11)10(14)12-3-7-16-8-4-12/h1-8H2

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)=78.6214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.30666  SlogP: -1.296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168336  Sterimol/B1: 2.98277  Sterimol/B2: 3.49383  Sterimol/B3: 4.25678
  Sterimol/B4: 4.63152  Sterimol/L: 12.2364 
 
 Surface and Volume Properties
  Accessible surface: 411.788  Positive charged surface: 333.471  Negative charged surface: 78.3171  Volume: 209.5
  Hydrophobic surface: 323.004  Hydrophilic surface: 88.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.