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


ASINEX-ZINC00288333

 MMsINC code: MMs00109684
Type: Neutral
Formula: C15H22N2O4
SMILES:   O1CCN(CC1)CCNC(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C15H22N2O4/c1-19-13-9-12(10-14(11-13)20-2)15(18)16-3-4-17-5-7-21-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18)

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)=85.727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.351 g/mol  logS: -1.82114  SlogP: 0.7658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224799  Sterimol/B1: 2.52523  Sterimol/B2: 2.87488  Sterimol/B3: 3.37929
  Sterimol/B4: 6.92406  Sterimol/L: 17.4948 
 
 Surface and Volume Properties
  Accessible surface: 565.096  Positive charged surface: 463.336  Negative charged surface: 101.76  Volume: 285.5
  Hydrophobic surface: 484.826  Hydrophilic surface: 80.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00109685
ASINEX-ZINC00288333