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


ASINEX-ZINC04217784

 MMsINC code: MMs00318728
Type: Neutral
Formula: C24H27N3O3
SMILES:   O(C)c1cc(ccc1OC)CCNc1ncc(cc1)C(=O)NCCc1ccccc1
InChI:   InChI=1/C24H27N3O3/c1-29-21-10-8-19(16-22(21)30-2)13-14-25-23-11-9-20(17-27-23)24(28)26-15-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(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)=101.89 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -4.14009  SlogP: 3.72584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0317272  Sterimol/B1: 2.11027  Sterimol/B2: 2.12342  Sterimol/B3: 5.50605
  Sterimol/B4: 7.36869  Sterimol/L: 24.9052 
 
 Surface and Volume Properties
  Accessible surface: 769.957  Positive charged surface: 540.504  Negative charged surface: 229.453  Volume: 408.625
  Hydrophobic surface: 658.131  Hydrophilic surface: 111.826
 
 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.