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


PUBCHEM-ZINC00689182

 MMsINC code: MMs02728031
Type: Neutral
Formula: C26H23N3O3
SMILES:   O(CC)c1ccccc1-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C26H23N3O3/c1-3-32-25-11-7-5-9-21(25)24-16-22(20-8-4-6-10-23(20)29-24)26(31)28-19-14-12-18(13-15-19)27-17(2)30/h4-16H,3H2,1-2H3,(H,27,30)(H,28,31)

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)=150.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.488 g/mol  logS: -6.92563  SlogP: 5.5112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00944316  Sterimol/B1: 2.69625  Sterimol/B2: 2.98727  Sterimol/B3: 5.58482
  Sterimol/B4: 7.62693  Sterimol/L: 21.352 
 
 Surface and Volume Properties
  Accessible surface: 716.37  Positive charged surface: 419.037  Negative charged surface: 285.98  Volume: 409.625
  Hydrophobic surface: 597.206  Hydrophilic surface: 119.164
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.