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


CHEMBRIDGE-ZINC02737063

 MMsINC code: MMs00714395
Type: Neutral
Formula: C19H27NO4
SMILES:   O(CC)c1c(OCC)cc(cc1OCC)C(=O)N(CC=C)CC=C
InChI:   InChI=1/C19H27NO4/c1-6-11-20(12-7-2)19(21)15-13-16(22-8-3)18(24-10-5)17(14-15)23-9-4/h6-7,13-14H,1-2,8-12H2,3-5H3

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)=96.5535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.428 g/mol  logS: -3.55025  SlogP: 3.6969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054107  Sterimol/B1: 2.52622  Sterimol/B2: 2.55599  Sterimol/B3: 4.20021
  Sterimol/B4: 11.3998  Sterimol/L: 15.6017 
 
 Surface and Volume Properties
  Accessible surface: 642.361  Positive charged surface: 446.567  Negative charged surface: 195.794  Volume: 347.375
  Hydrophobic surface: 439.879  Hydrophilic surface: 202.482
 
 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.