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


CHEMBRIDGE-ZINC00439149

 MMsINC code: MMs00615473
Type: Neutral
Formula: C23H22N2O
SMILES:   Oc1ccc(\N=C\c2ccc(N3Cc4cc(C)c(cc4C3)C)cc2)cc1
InChI:   InChI=1/C23H22N2O/c1-16-11-19-14-25(15-20(19)12-17(16)2)22-7-3-18(4-8-22)13-24-21-5-9-23(26)10-6-21/h3-13,26H,14-15H2,1-2H3/b24-13+

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)=156.369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.442 g/mol  logS: -5.71322  SlogP: 5.81264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254697  Sterimol/B1: 2.37848  Sterimol/B2: 2.58939  Sterimol/B3: 4.1112
  Sterimol/B4: 5.73778  Sterimol/L: 21.195 
 
 Surface and Volume Properties
  Accessible surface: 651.985  Positive charged surface: 399.913  Negative charged surface: 252.072  Volume: 351.125
  Hydrophobic surface: 568.375  Hydrophilic surface: 83.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.