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


CHEMBRIDGE-ZINC02461943

MMsINC code: MMs00709486

Type: Neutral
Formula: C30H26N2O3
SMILES:   O(c1cc(ccc1)\C=C(\NC(=O)c1ccc(cc1)C)/C(=O)NCc1ccccc1)c1ccccc
1
InChI:   InChI=1/C30H26N2O3/c1-22-15-17-25(18-16-22)29(33)32-28(30(34)31-21-23-9-4-2-5-10-23)20-24-11-8-14-27(19-24)35-26-12-6-3-7-13-26/h2-20H,21H2,1H3,(H,31,34)(H,32,33)/b28-20-

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)=147.584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.549 g/mol  logS: -8.06738  SlogP: 6.14102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111046  Sterimol/B1: 2.08525  Sterimol/B2: 2.97952  Sterimol/B3: 5.67735
  Sterimol/B4: 11.7555  Sterimol/L: 17.9814 
 
 Surface and Volume Properties
  Accessible surface: 780.024  Positive charged surface: 443.242  Negative charged surface: 336.782  Volume: 461.75
  Hydrophobic surface: 715.726  Hydrophilic surface: 64.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.