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


MAYBRIDGE-ZINC01036708

 MMsINC code: MMs02151877
Type: Neutral
Formula: C23H14N2
SMILES:   N#Cc1cc(cc2c1cccc2)Cc1cc(c2c(c1)cccc2)C#N
InChI:   InChI=1/C23H14N2/c24-14-20-12-16(10-18-5-1-3-7-22(18)20)9-17-11-19-6-2-4-8-23(19)21(13-17)15-25/h1-8,10-13H,9H2

Download   format file 
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)=92.6453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.379 g/mol  logS: -7.95888  SlogP: 5.32714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119742  Sterimol/B1: 2.52034  Sterimol/B2: 4.56953  Sterimol/B3: 5.36665
  Sterimol/B4: 7.65429  Sterimol/L: 15.3614 
 
 Surface and Volume Properties
  Accessible surface: 579.768  Positive charged surface: 273.383  Negative charged surface: 284.242  Volume: 321.25
  Hydrophobic surface: 437.31  Hydrophilic surface: 142.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.