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


ENAMINE-ZINC07166410

 MMsINC code: MMs01723956
Type: Neutral
Formula: C23H26N2O3
SMILES:   O(CC(=O)NCCC=1CCCCC=1)c1ccc(NC(=O)c2ccccc2)cc1
InChI:   InChI=1/C23H26N2O3/c26-22(24-16-15-18-7-3-1-4-8-18)17-28-21-13-11-20(12-14-21)25-23(27)19-9-5-2-6-10-19/h2,5-7,9-14H,1,3-4,8,15-17H2,(H,24,26)(H,25,27)

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)=95.4645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -5.54517  SlogP: 4.3244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153612  Sterimol/B1: 3.19091  Sterimol/B2: 3.50249  Sterimol/B3: 3.82154
  Sterimol/B4: 4.31174  Sterimol/L: 25.1947 
 
 Surface and Volume Properties
  Accessible surface: 714.11  Positive charged surface: 462.256  Negative charged surface: 251.854  Volume: 378.625
  Hydrophobic surface: 604.405  Hydrophilic surface: 109.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.