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


NCID-ZINC04896872

 MMsINC code: MMs02413914
Type: Neutral
Formula: C26H26N4+2
SMILES:   [NH+]1(CCC[NH+](C(C#N)c2ccccc2)C1c1ccccc1)C(C#N)c1ccccc1
InChI:   InChI=1/C26H24N4/c27-19-24(21-11-4-1-5-12-21)29-17-10-18-30(26(29)23-15-8-3-9-16-23)25(20-28)22-13-6-2-7-14-22/h1-9,11-16,24-26H,10,17-18H2/p+2/t24-,25-/m0/s1

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)=64.6825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.522 g/mol  logS: -5.62732  SlogP: 2.67497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143615  Sterimol/B1: 2.5438  Sterimol/B2: 3.7619  Sterimol/B3: 5.48611
  Sterimol/B4: 9.47542  Sterimol/L: 17.0711 
 
 Surface and Volume Properties
  Accessible surface: 661.197  Positive charged surface: 380.679  Negative charged surface: 280.518  Volume: 415.625
  Hydrophobic surface: 553.153  Hydrophilic surface: 108.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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


MMs02413915
NCID-ZINC04896872