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


ENAMINE-ZINC06551491

 MMsINC code: MMs01671683
Type: Neutral
Formula: C24H27N3O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)N1CCCCC1
InChI:   InChI=1/C24H27N3O3/c28-23(27-13-7-2-8-14-27)22(15-19-16-25-21-12-6-5-11-20(19)21)26-24(29)30-17-18-9-3-1-4-10-18/h1,3-6,9-12,16,22,25H,2,7-8,13-15,17H2,(H,26,29)/t22-/m0/s1

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)=62.1043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -4.54783  SlogP: 4.28427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926991  Sterimol/B1: 3.08047  Sterimol/B2: 3.64165  Sterimol/B3: 3.74643
  Sterimol/B4: 9.79946  Sterimol/L: 17.0785 
 
 Surface and Volume Properties
  Accessible surface: 701.813  Positive charged surface: 453.745  Negative charged surface: 245.04  Volume: 399.875
  Hydrophobic surface: 594.987  Hydrophilic surface: 106.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.