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


ENAMINE-ZINC03428419

 MMsINC code: MMs01435968
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(CC)c1ccccc1C(=O)NCC(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C23H26N2O5/c1-2-29-20-13-6-5-11-18(20)23(28)24-14-22(27)30-15-21(26)25-19-12-7-9-16-8-3-4-10-17(16)19/h3-6,8,10-11,13,19H,2,7,9,12,14-15H2,1H3,(H,24,28)(H,25,26)/t19-/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)=104.46 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -5.1581  SlogP: 2.64757  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0363899  Sterimol/B1: 2.16144  Sterimol/B2: 2.47672  Sterimol/B3: 5.59918
  Sterimol/B4: 8.06934  Sterimol/L: 21.2799 
 
 Surface and Volume Properties
  Accessible surface: 732.654  Positive charged surface: 485.121  Negative charged surface: 247.533  Volume: 397.125
  Hydrophobic surface: 585.382  Hydrophilic surface: 147.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.