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


CHEMDIV-ZINC01279899

 MMsINC code: MMs00865059
Type: Tautomer
Formula: C24H24N2
SMILES:   [nH]1cc(c2c1cccc2)CCN(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2

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)=104.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -5.1435  SlogP: 5.94557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606461  Sterimol/B1: 2.41349  Sterimol/B2: 2.43033  Sterimol/B3: 4.45199
  Sterimol/B4: 10.3979  Sterimol/L: 16.168 
 
 Surface and Volume Properties
  Accessible surface: 610.265  Positive charged surface: 356.749  Negative charged surface: 248.684  Volume: 360.25
  Hydrophobic surface: 548.403  Hydrophilic surface: 61.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs00865058
CHEMDIV-ZINC01279899