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


PUBCHEM-ZINC06024870

 MMsINC code: MMs03499893
Type: Neutral
Formula: C24H24N4O3
SMILES:   O(C)c1c(OC)cc(cc1OC)/C(=N\Nc1ccccc1)/Cc1[nH]c2c(n1)cccc2
InChI:   InChI=1/C24H24N4O3/c1-29-21-13-16(14-22(30-2)24(21)31-3)20(28-27-17-9-5-4-6-10-17)15-23-25-18-11-7-8-12-19(18)26-23/h4-14,27H,15H2,1-3H3,(H,25,26)/b28-20+

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)=142.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.481 g/mol  logS: -5.53774  SlogP: 4.64757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171885  Sterimol/B1: 2.33453  Sterimol/B2: 3.11698  Sterimol/B3: 5.98374
  Sterimol/B4: 11.7714  Sterimol/L: 16.5612 
 
 Surface and Volume Properties
  Accessible surface: 717.745  Positive charged surface: 507.505  Negative charged surface: 210.24  Volume: 406.125
  Hydrophobic surface: 659.541  Hydrophilic surface: 58.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.