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


PUBCHEM-ZINC04529210

 MMsINC code: MMs03128983
Type: Neutral
Formula: C28H24N2O2
SMILES:   Oc1ccccc1C(\N=C\c1ccccc1)C(\N=C\c1ccccc1)c1ccccc1O
InChI:   InChI=1/C28H24N2O2/c31-25-17-9-7-15-23(25)27(29-19-21-11-3-1-4-12-21)28(24-16-8-10-18-26(24)32)30-20-22-13-5-2-6-14-22/h1-20,27-28,31-32H/b29-19+,30-20+/t27-,28+

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)=136.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.512 g/mol  logS: -6.19288  SlogP: 6.3094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105953  Sterimol/B1: 3.77149  Sterimol/B2: 4.33044  Sterimol/B3: 5.98277
  Sterimol/B4: 7.49541  Sterimol/L: 18.5658 
 
 Surface and Volume Properties
  Accessible surface: 707.37  Positive charged surface: 407.803  Negative charged surface: 299.567  Volume: 422.5
  Hydrophobic surface: 651.982  Hydrophilic surface: 55.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.