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


CHEMBRIDGE-ZINC00959601

 MMsINC code: MMs00649005
Type: Neutral
Formula: C24H28N2O5
SMILES:   O(CC(=O)Nc1ccc(cc1)C(OCC)=O)c1ccc(cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H28N2O5/c1-2-30-24(29)18-8-12-20(13-9-18)25-22(27)16-31-21-14-10-17(11-15-21)23(28)26-19-6-4-3-5-7-19/h8-15,19H,2-7,16H2,1H3,(H,25,27)(H,26,28)

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)=98.2815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.497 g/mol  logS: -5.7579  SlogP: 3.9433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130899  Sterimol/B1: 2.46647  Sterimol/B2: 3.00008  Sterimol/B3: 4.24582
  Sterimol/B4: 6.29147  Sterimol/L: 27.0148 
 
 Surface and Volume Properties
  Accessible surface: 772.668  Positive charged surface: 517.252  Negative charged surface: 255.416  Volume: 409.625
  Hydrophobic surface: 621.858  Hydrophilic surface: 150.81
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.