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


ENAMINE-ZINC04890825

 MMsINC code: MMs01562122
Type: Neutral
Formula: C24H26N2O4
SMILES:   O=C1N(CCC1)c1ccc(cc1)C(OC(C(=O)NC1CCCc2c1cccc2)C)=O
InChI:   InChI=1/C24H26N2O4/c1-16(23(28)25-21-9-4-7-17-6-2-3-8-20(17)21)30-24(29)18-11-13-19(14-12-18)26-15-5-10-22(26)27/h2-3,6,8,11-14,16,21H,4-5,7,9-10,15H2,1H3,(H,25,28)/t16-,21-/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)=97.2412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -5.26378  SlogP: 3.64797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457087  Sterimol/B1: 2.08804  Sterimol/B2: 3.28327  Sterimol/B3: 6.41154
  Sterimol/B4: 6.48244  Sterimol/L: 20.7587 
 
 Surface and Volume Properties
  Accessible surface: 697.002  Positive charged surface: 443.113  Negative charged surface: 253.889  Volume: 394
  Hydrophobic surface: 577.573  Hydrophilic surface: 119.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.