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


IBS-ZINC02358196

 MMsINC code: MMs01842442
Type: Neutral
Formula: C16H25NO4
SMILES:   O1CCN(CCOCCOCC1)Cc1ccc(OC)cc1
InChI:   InChI=1/C16H25NO4/c1-18-16-4-2-15(3-5-16)14-17-6-8-19-10-12-21-13-11-20-9-7-17/h2-5H,6-14H2,1H3

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)=128.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.379 g/mol  logS: -1.88347  SlogP: 1.827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129487  Sterimol/B1: 3.87454  Sterimol/B2: 3.90896  Sterimol/B3: 4.13069
  Sterimol/B4: 5.97032  Sterimol/L: 15.3388 
 
 Surface and Volume Properties
  Accessible surface: 527.042  Positive charged surface: 440.812  Negative charged surface: 86.2295  Volume: 298.75
  Hydrophobic surface: 486.05  Hydrophilic surface: 40.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01842443
IBS-ZINC02358196