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


ENAMINE-ZINC05554394

 MMsINC code: MMs01621053
Type: Neutral
Formula: C18H19NO5
SMILES:   O1c2cc(NC(=O)COc3ccccc3OCCC)ccc2OC1
InChI:   InChI=1/C18H19NO5/c1-2-9-21-14-5-3-4-6-15(14)22-11-18(20)19-13-7-8-16-17(10-13)24-12-23-16/h3-8,10H,2,9,11-12H2,1H3,(H,19,20)

Download   format file 
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)=104.189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.352 g/mol  logS: -3.96615  SlogP: 3.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01573  Sterimol/B1: 2.56529  Sterimol/B2: 2.633  Sterimol/B3: 3.0802
  Sterimol/B4: 9.54881  Sterimol/L: 18.2035 
 
 Surface and Volume Properties
  Accessible surface: 616.923  Positive charged surface: 413.78  Negative charged surface: 203.143  Volume: 310.375
  Hydrophobic surface: 479.957  Hydrophilic surface: 136.966
 
 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.