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


CHEMDIV-ZINC03031803

 MMsINC code: MMs00905659
Type: Neutral
Formula: C25H27FN2O4S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)CC)c1cc(C(=O)Nc2ccccc2OCC)c(F)cc1
InChI:   InChI=1/C25H27FN2O4S/c1-3-19(16-18-10-6-5-7-11-18)28-33(30,31)20-14-15-22(26)21(17-20)25(29)27-23-12-8-9-13-24(23)32-4-2/h5-15,17,19,28H,3-4,16H2,1-2H3,(H,27,29)/t19-/m1/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)=91.3238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.565 g/mol  logS: -6.22377  SlogP: 4.77627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160638  Sterimol/B1: 3.01533  Sterimol/B2: 3.88032  Sterimol/B3: 5.83566
  Sterimol/B4: 9.29618  Sterimol/L: 15.3288 
 
 Surface and Volume Properties
  Accessible surface: 693.762  Positive charged surface: 409.953  Negative charged surface: 283.809  Volume: 436.75
  Hydrophobic surface: 579.837  Hydrophilic surface: 113.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.