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


ENAMINE-ZINC06640194

 MMsINC code: MMs01688925
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(C(=O)C1CCN(CC1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC
InChI:   InChI=1/C23H27N3O4/c1-2-30-23(29)17-12-14-26(15-13-17)16-21(27)25-20-11-7-6-10-19(20)22(28)24-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)(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)=114.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -4.49909  SlogP: 3.1525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584759  Sterimol/B1: 2.03075  Sterimol/B2: 5.71933  Sterimol/B3: 6.77756
  Sterimol/B4: 6.8233  Sterimol/L: 21.6387 
 
 Surface and Volume Properties
  Accessible surface: 733.054  Positive charged surface: 494.503  Negative charged surface: 238.551  Volume: 398.625
  Hydrophobic surface: 620.961  Hydrophilic surface: 112.093
 
 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


MMs01688926
ENAMINE-ZINC06640194