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


CHEMBLOCK-ZINC03626922

 MMsINC code: MMs00538964
Type: Neutral
Formula: C20H23NO7
SMILES:   O(CC(=O)NC(CC(O)=O)c1cc(OC)c(OC)cc1)c1ccccc1OC
InChI:   InChI=1/C20H23NO7/c1-25-15-6-4-5-7-17(15)28-12-19(22)21-14(11-20(23)24)13-8-9-16(26-2)18(10-13)27-3/h4-10,14H,11-12H2,1-3H3,(H,21,22)(H,23,24)/t14-/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)=111.439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.404 g/mol  logS: -3.40463  SlogP: 2.5189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180808  Sterimol/B1: 2.61342  Sterimol/B2: 3.80377  Sterimol/B3: 6.91372
  Sterimol/B4: 9.52301  Sterimol/L: 15.8737 
 
 Surface and Volume Properties
  Accessible surface: 682.618  Positive charged surface: 497.932  Negative charged surface: 184.686  Volume: 362.75
  Hydrophobic surface: 526.372  Hydrophilic surface: 156.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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


MMs00538965
CHEMBLOCK-ZINC03626922