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


CHEMDIV-ZINC04598119

 MMsINC code: MMs00938868
Type: Neutral
Formula: C23H24N4O3
SMILES:   O=C1N(CCCCC(=O)NCCc2c3c([nH]c2)cccc3)C(=O)Nc2c1cccc2
InChI:   InChI=1/C23H24N4O3/c28-21(24-13-12-16-15-25-19-9-3-1-7-17(16)19)11-5-6-14-27-22(29)18-8-2-4-10-20(18)26-23(27)30/h1-4,7-10,15,25H,5-6,11-14H2,(H,24,28)(H,26,30)

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)=32.6912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.47 g/mol  logS: -4.40921  SlogP: 3.68477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210191  Sterimol/B1: 2.55328  Sterimol/B2: 3.40711  Sterimol/B3: 3.49735
  Sterimol/B4: 6.96083  Sterimol/L: 23.4886 
 
 Surface and Volume Properties
  Accessible surface: 717.456  Positive charged surface: 451.182  Negative charged surface: 261.554  Volume: 388.875
  Hydrophobic surface: 529.695  Hydrophilic surface: 187.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.