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


ENAMINE-ZINC05981867

 MMsINC code: MMs01649587
Type: Neutral
Formula: C19H20N2O5
SMILES:   O(C)c1cc(ccc1OC)\C=C\C(O\N=C(\N)/c1ccc(OC)cc1)=O
InChI:   InChI=1/C19H20N2O5/c1-23-15-8-6-14(7-9-15)19(20)21-26-18(22)11-5-13-4-10-16(24-2)17(12-13)25-3/h4-12H,1-3H3,(H2,20,21)/b11-5+

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)=144.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.378 g/mol  logS: -4.58519  SlogP: 2.5893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00293427  Sterimol/B1: 2.37464  Sterimol/B2: 2.37966  Sterimol/B3: 4.72777
  Sterimol/B4: 4.83048  Sterimol/L: 22.2864 
 
 Surface and Volume Properties
  Accessible surface: 666.872  Positive charged surface: 461.466  Negative charged surface: 205.406  Volume: 340.375
  Hydrophobic surface: 528.953  Hydrophilic surface: 137.919
 
 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.