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


NCID-ZINC01684446

 MMsINC code: MMs02317874
Type: Neutral
Formula: C26H28N6O2
SMILES:   O=C(Nc1ccc(cc1)/C(=N\C)/NC)c1ccc(cc1)C(=O)Nc1ccc(cc1)/C(=N\C
)/NC
InChI:   InChI=1/C26H28N6O2/c1-27-23(28-2)17-9-13-21(14-10-17)31-25(33)19-5-7-20(8-6-19)26(34)32-22-15-11-18(12-16-22)24(29-3)30-4/h5-16H,1-4H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34)

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)=252.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.55 g/mol  logS: -5.80666  SlogP: 3.3828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00450126  Sterimol/B1: 2.64224  Sterimol/B2: 2.72494  Sterimol/B3: 2.95696
  Sterimol/B4: 5.59629  Sterimol/L: 26.6514 
 
 Surface and Volume Properties
  Accessible surface: 793.151  Positive charged surface: 548.416  Negative charged surface: 244.735  Volume: 443.5
  Hydrophobic surface: 657.054  Hydrophilic surface: 136.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.