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


CHEMDIV-ZINC06793870

MMsINC code: MMs01024583

Type: Neutral
Formula: C19H20N4O2
SMILES:   O(C)c1ccc(OC)cc1Nc1ncnc(Nc2ccc(cc2)C)c1
InChI:   InChI=1/C19H20N4O2/c1-13-4-6-14(7-5-13)22-18-11-19(21-12-20-18)23-16-10-15(24-2)8-9-17(16)25-3/h4-12H,1-3H3,(H2,20,21,22,23)

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)=96.7327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.395 g/mol  logS: -4.72558  SlogP: 4.28942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029499  Sterimol/B1: 2.93381  Sterimol/B2: 4.11751  Sterimol/B3: 5.09539
  Sterimol/B4: 6.69458  Sterimol/L: 17.9925 
 
 Surface and Volume Properties
  Accessible surface: 620.809  Positive charged surface: 455.408  Negative charged surface: 165.401  Volume: 328.625
  Hydrophobic surface: 523.726  Hydrophilic surface: 97.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.