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


CHEMDIV-ZINC06810977

 MMsINC code: MMs01038661
Type: Neutral
Formula: C22H26FNO4S
SMILES:   S1(=O)(=O)CC(N(Cc2cc(F)ccc2)C(=O)COc2c(cc(cc2C)C)C)CC1
InChI:   InChI=1/C22H26FNO4S/c1-15-9-16(2)22(17(3)10-15)28-13-21(25)24(20-7-8-29(26,27)14-20)12-18-5-4-6-19(23)11-18/h4-6,9-11,20H,7-8,12-14H2,1-3H3/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)=96.3627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.517 g/mol  logS: -4.82136  SlogP: 3.61206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110818  Sterimol/B1: 3.79195  Sterimol/B2: 4.5536  Sterimol/B3: 6.30425
  Sterimol/B4: 6.48282  Sterimol/L: 16.5709 
 
 Surface and Volume Properties
  Accessible surface: 660.392  Positive charged surface: 362.404  Negative charged surface: 297.987  Volume: 388.375
  Hydrophobic surface: 558.411  Hydrophilic surface: 101.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.