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


ASINEX-ZINC00784142

MMsINC code: MMs00162884

Type: Neutral
Formula: C20H22N2O4
SMILES:   O(C)c1cc(Cc2nccc3c2cc(OC)c(OC)c3)c(N)cc1OC
InChI:   InChI=1/C20H22N2O4/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21/h5-6,8-11H,7,21H2,1-4H3

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)=143.566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.406 g/mol  logS: -3.88287  SlogP: 3.44217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14021  Sterimol/B1: 2.3581  Sterimol/B2: 5.81289  Sterimol/B3: 5.86192
  Sterimol/B4: 6.17275  Sterimol/L: 16.2344 
 
 Surface and Volume Properties
  Accessible surface: 595.566  Positive charged surface: 487.166  Negative charged surface: 98.9949  Volume: 341
  Hydrophobic surface: 514.077  Hydrophilic surface: 81.489
 
 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.