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


ENAMINE-ZINC03348030

 MMsINC code: MMs01387610
Type: Neutral
Formula: C26H26F2N2O5S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(OCC(=O)N(Cc1ccccc1)C(C)(C)C)=O)c1cc(F
)c(F)cc1
InChI:   InChI=1/C26H26F2N2O5S/c1-26(2,3)30(16-18-8-5-4-6-9-18)24(31)17-35-25(32)19-10-7-11-20(14-19)29-36(33,34)21-12-13-22(27)23(28)15-21/h4-15,29H,16-17H2,1-3H3

Download   format file 
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)=152.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 516.565 g/mol  logS: -6.83452  SlogP: 5.0161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118243  Sterimol/B1: 3.31679  Sterimol/B2: 4.28426  Sterimol/B3: 6.35278
  Sterimol/B4: 8.07875  Sterimol/L: 18.2134 
 
 Surface and Volume Properties
  Accessible surface: 767.597  Positive charged surface: 391.025  Negative charged surface: 376.572  Volume: 450.125
  Hydrophobic surface: 575.977  Hydrophilic surface: 191.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.