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


PUBCHEM-ZINC01999505

 MMsINC code: MMs02841889
Type: Neutral
Formula: C28H26N4O2
SMILES:   O=C(NC(C(NC(=O)c1ccccc1C)c1ccncc1)c1ccncc1)c1ccccc1C
InChI:   InChI=1/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)/t25-,26-/m1/s1

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)=161.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.542 g/mol  logS: -5.43884  SlogP: 4.92684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163463  Sterimol/B1: 2.53533  Sterimol/B2: 3.96073  Sterimol/B3: 7.5611
  Sterimol/B4: 7.78929  Sterimol/L: 18.5355 
 
 Surface and Volume Properties
  Accessible surface: 712.236  Positive charged surface: 463.194  Negative charged surface: 249.042  Volume: 440.25
  Hydrophobic surface: 647.15  Hydrophilic surface: 65.086
 
 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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.