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


CHEMSTAR-ZINC02370756

 MMsINC code: MMs01081169
Type: Neutral
Formula: C32H26N4
SMILES:   n1ccc(cc1)Cc1ccc(\N=C/c2ccc(cc2)\C=N/c2ccc(cc2)Cc2ccncc2)cc1
InChI:   InChI=1/C32H26N4/c1-2-30(24-36-32-11-7-26(8-12-32)22-28-15-19-34-20-16-28)4-3-29(1)23-35-31-9-5-25(6-10-31)21-27-13-17-33-18-14-27/h1-20,23-24H,21-22H2/b35-23-,36-24-

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)=212.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.588 g/mol  logS: -6.95084  SlogP: 7.15934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745729  Sterimol/B1: 3.41066  Sterimol/B2: 4.71115  Sterimol/B3: 5.16458
  Sterimol/B4: 7.66727  Sterimol/L: 21.5559 
 
 Surface and Volume Properties
  Accessible surface: 780.824  Positive charged surface: 557.995  Negative charged surface: 222.829  Volume: 473.625
  Hydrophobic surface: 679.152  Hydrophilic surface: 101.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.