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


CHEMBLOCK-ZINC03624788

 MMsINC code: MMs00538793
Type: Neutral
Formula: C20H23NO6
SMILES:   O(CC(=O)NC(CC(O)=O)c1ccc(OCC)cc1)c1ccccc1OC
InChI:   InChI=1/C20H23NO6/c1-3-26-15-10-8-14(9-11-15)16(12-20(23)24)21-19(22)13-27-18-7-5-4-6-17(18)25-2/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)/t16-/m0/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)=90.3404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.405 g/mol  logS: -3.68146  SlogP: 2.9004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396168  Sterimol/B1: 2.74794  Sterimol/B2: 3.32362  Sterimol/B3: 3.98205
  Sterimol/B4: 9.19422  Sterimol/L: 19.533 
 
 Surface and Volume Properties
  Accessible surface: 678.355  Positive charged surface: 455.282  Negative charged surface: 223.073  Volume: 354.5
  Hydrophobic surface: 512.547  Hydrophilic surface: 165.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00538794
CHEMBLOCK-ZINC03624788