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


PUBCHEM-ZINC05503121

 MMsINC code: MMs03289990
Type: Neutral
Formula: C26H44N6
SMILES:   n1c(-c2nc(nc(CCCCC)c2CCCC)N)c(CCCC)c(nc1N)CCCCC
InChI:   InChI=1/C26H44N6/c1-5-9-13-17-21-19(15-11-7-3)23(31-25(27)29-21)24-20(16-12-8-4)22(18-14-10-6-2)30-26(28)32-24/h5-18H2,1-4H3,(H2,27,29,31)(H2,28,30,32)

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)=-1.36037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.68 g/mol  logS: -9.73372  SlogP: 6.24848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254829  Sterimol/B1: 2.79558  Sterimol/B2: 4.93477  Sterimol/B3: 8.17104
  Sterimol/B4: 8.25047  Sterimol/L: 18.4629 
 
 Surface and Volume Properties
  Accessible surface: 810.186  Positive charged surface: 619.566  Negative charged surface: 190.62  Volume: 480.75
  Hydrophobic surface: 568.195  Hydrophilic surface: 241.991
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.