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


ENAMINE-ZINC06602344

 MMsINC code: MMs01683504
Type: Neutral
Formula: C24H22N2O5
SMILES:   O1c2cc(ccc2OC1)CNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1
InChI:   InChI=1/C24H22N2O5/c1-29-18-9-6-16(7-10-18)13-23(27)26-20-5-3-2-4-19(20)24(28)25-14-17-8-11-21-22(12-17)31-15-30-21/h2-12H,13-15H2,1H3,(H,25,28)(H,26,27)

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)=114.799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.449 g/mol  logS: -5.33585  SlogP: 3.80147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415463  Sterimol/B1: 2.5251  Sterimol/B2: 2.66908  Sterimol/B3: 5.29452
  Sterimol/B4: 7.45044  Sterimol/L: 23.4682 
 
 Surface and Volume Properties
  Accessible surface: 720.748  Positive charged surface: 478.099  Negative charged surface: 242.648  Volume: 390.625
  Hydrophobic surface: 591.035  Hydrophilic surface: 129.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.