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


PUBCHEM-ZINC05883410

 MMsINC code: MMs03427398
Type: Neutral
Formula: C24H26N6
SMILES:   n1c(N)c2nc(c(nc2nc1N)-c1cc(ccc1)CCC)-c1cc(ccc1)CCC
InChI:   InChI=1/C24H26N6/c1-3-7-15-9-5-11-17(13-15)19-20(18-12-6-10-16(14-18)8-4-2)28-23-21(27-19)22(25)29-24(26)30-23/h5-6,9-14H,3-4,7-8H2,1-2H3,(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)=99.9047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.514 g/mol  logS: -8.97784  SlogP: 4.82314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906828  Sterimol/B1: 2.23692  Sterimol/B2: 2.7566  Sterimol/B3: 4.66047
  Sterimol/B4: 11.9796  Sterimol/L: 16.849 
 
 Surface and Volume Properties
  Accessible surface: 706.97  Positive charged surface: 493.648  Negative charged surface: 209.015  Volume: 401.625
  Hydrophobic surface: 436.6  Hydrophilic surface: 270.37
 
 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.