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


PUBCHEM-ZINC05974509

 MMsINC code: MMs03470201
Type: Neutral
Formula: C24H26N6
SMILES:   n1c(N)c2nc(CCCc3ccccc3)c(nc2nc1N)CCCc1ccccc1
InChI:   InChI=1/C24H26N6/c25-22-21-23(30-24(26)29-22)28-20(16-8-14-18-11-5-2-6-12-18)19(27-21)15-7-13-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H4,25,26,28,29,30)

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)=74.3773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.514 g/mol  logS: -6.24384  SlogP: 3.93468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120582  Sterimol/B1: 2.45024  Sterimol/B2: 2.82457  Sterimol/B3: 4.96908
  Sterimol/B4: 12.625  Sterimol/L: 17.5098 
 
 Surface and Volume Properties
  Accessible surface: 724.667  Positive charged surface: 465.11  Negative charged surface: 259.557  Volume: 401.75
  Hydrophobic surface: 509.734  Hydrophilic surface: 214.933
 
 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.