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


AURORAFEINCHEMIE-ZINC03302022

 MMsINC code: MMs00455902
Type: Neutral
Formula: C24H23NO6
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OCc1cc(ccc1OC)C(=O)C)=O
InChI:   InChI=1/C24H23NO6/c1-16(26)18-10-11-21(29-2)19(14-18)15-31-24(28)20(13-17-7-4-3-5-8-17)25-23(27)22-9-6-12-30-22/h3-12,14,20H,13,15H2,1-2H3,(H,25,27)/t20-/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)=110.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.449 g/mol  logS: -5.65067  SlogP: 3.84167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0333612  Sterimol/B1: 3.24978  Sterimol/B2: 3.66508  Sterimol/B3: 3.77173
  Sterimol/B4: 9.38899  Sterimol/L: 16.808 
 
 Surface and Volume Properties
  Accessible surface: 723.399  Positive charged surface: 428.376  Negative charged surface: 295.023  Volume: 400.875
  Hydrophobic surface: 616.502  Hydrophilic surface: 106.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.