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


ENAMINE-ZINC03399602

 MMsINC code: MMs01419235
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(CC(=O)NCc1ccc(cc1)C(OC)=O)c1ccccc1OC)c1ccc(F)cc1
InChI:   InChI=1/C24H23FN2O6S/c1-32-22-6-4-3-5-21(22)27(34(30,31)20-13-11-19(25)12-14-20)16-23(28)26-15-17-7-9-18(10-8-17)24(29)33-2/h3-14H,15-16H2,1-2H3,(H,26,28)

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)=120.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -5.78986  SlogP: 3.399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666768  Sterimol/B1: 2.12412  Sterimol/B2: 2.40392  Sterimol/B3: 6.32825
  Sterimol/B4: 10.833  Sterimol/L: 20.2263 
 
 Surface and Volume Properties
  Accessible surface: 760.763  Positive charged surface: 475.21  Negative charged surface: 285.553  Volume: 432.625
  Hydrophobic surface: 641.121  Hydrophilic surface: 119.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.