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


CHEMBRIDGE-ZINC04841716

 MMsINC code: MMs00798956
Type: Neutral
Formula: C17H25NO5
SMILES:   O1CCN(CC1)CCOCCOc1ccc(cc1OC)C(=O)C
InChI:   InChI=1/C17H25NO5/c1-14(19)15-3-4-16(17(13-15)20-2)23-12-11-22-10-7-18-5-8-21-9-6-18/h3-4,13H,5-12H2,1-2H3

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)=113.21 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.389 g/mol  logS: -2.12992  SlogP: 1.6254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123097  Sterimol/B1: 2.17821  Sterimol/B2: 4.25522  Sterimol/B3: 5.20505
  Sterimol/B4: 8.07679  Sterimol/L: 16.3004 
 
 Surface and Volume Properties
  Accessible surface: 626.003  Positive charged surface: 506.935  Negative charged surface: 119.068  Volume: 321.125
  Hydrophobic surface: 556.038  Hydrophilic surface: 69.965
 
 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


MMs00798957
CHEMBRIDGE-ZINC04841716