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


CHEMDIV-ZINC03626328

 MMsINC code: MMs00912011
Type: Neutral
Formula: C24H27N3O3
SMILES:   O(C)c1cc(OC)ccc1C(=O)Nc1cc2c(nc(N3CCCCC3)cc2C)cc1
InChI:   InChI=1/C24H27N3O3/c1-16-13-23(27-11-5-4-6-12-27)26-21-10-7-17(14-20(16)21)25-24(28)19-9-8-18(29-2)15-22(19)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28)

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)=154.418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.51091  SlogP: 4.80302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254937  Sterimol/B1: 2.55441  Sterimol/B2: 2.95542  Sterimol/B3: 4.21439
  Sterimol/B4: 7.1918  Sterimol/L: 22.2036 
 
 Surface and Volume Properties
  Accessible surface: 705.209  Positive charged surface: 529.431  Negative charged surface: 171.108  Volume: 395.75
  Hydrophobic surface: 634.1  Hydrophilic surface: 71.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.