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


ASINEX-ZINC00090211

 MMsINC code: MMs00073192
Type: Neutral
Formula: C19H18N2O3
SMILES:   O(CC)c1ccc(NC(=O)c2cc(OC)nc3c2cccc3)cc1
InChI:   InChI=1/C19H18N2O3/c1-3-24-14-10-8-13(9-11-14)20-19(22)16-12-18(23-2)21-17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,20,22)

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)=91.3459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.364 g/mol  logS: -4.68264  SlogP: 3.8944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190856  Sterimol/B1: 2.66491  Sterimol/B2: 3.37017  Sterimol/B3: 5.3942
  Sterimol/B4: 5.69199  Sterimol/L: 17.7542 
 
 Surface and Volume Properties
  Accessible surface: 599.071  Positive charged surface: 390.777  Negative charged surface: 202.604  Volume: 313.75
  Hydrophobic surface: 508.469  Hydrophilic surface: 90.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.