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


ASINEX-ZINC00049337

 MMsINC code: MMs00064668
Type: Neutral
Formula: C19H26N2O4
SMILES:   OC1CC(N(C1)C(OCc1ccccc1)=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H26N2O4/c22-16-11-17(18(23)20-15-9-5-2-6-10-15)21(12-16)19(24)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17,22H,2,5-6,9-13H2,(H,20,23)/t16-,17+/m1/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)=46.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.29362  SlogP: 2.4737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059122  Sterimol/B1: 2.867  Sterimol/B2: 3.64488  Sterimol/B3: 4.40161
  Sterimol/B4: 7.61789  Sterimol/L: 18.5606 
 
 Surface and Volume Properties
  Accessible surface: 641.577  Positive charged surface: 451.856  Negative charged surface: 189.721  Volume: 340.75
  Hydrophobic surface: 528.321  Hydrophilic surface: 113.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.