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


ENAMINE-ZINC01939362

 MMsINC code: MMs01246270
Type: Neutral
Formula: C20H23NO6
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)COC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C20H23NO6/c1-24-16-7-5-15(6-8-16)20(23)27-13-19(22)21-11-10-14-4-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)

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)=109.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.405 g/mol  logS: -3.91969  SlogP: 2.22807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557995  Sterimol/B1: 1.969  Sterimol/B2: 4.46351  Sterimol/B3: 5.17354
  Sterimol/B4: 7.30172  Sterimol/L: 21.8192 
 
 Surface and Volume Properties
  Accessible surface: 697.233  Positive charged surface: 510.198  Negative charged surface: 187.035  Volume: 358.25
  Hydrophobic surface: 576.301  Hydrophilic surface: 120.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.