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


CHEMDIV-ZINC00427263

 MMsINC code: MMs00852131
Type: Neutral
Formula: C13H13FN2O3S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1)C
InChI:   InChI=1/C13H13FN2O3S2/c1-16(21(18,19)13-6-3-7-20-13)9-12(17)15-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H,15,17)

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)=62.9024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.388 g/mol  logS: -3.55486  SlogP: 2.1464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773924  Sterimol/B1: 2.19826  Sterimol/B2: 2.41281  Sterimol/B3: 5.09261
  Sterimol/B4: 5.98936  Sterimol/L: 16.9856 
 
 Surface and Volume Properties
  Accessible surface: 530.911  Positive charged surface: 263.593  Negative charged surface: 267.318  Volume: 274
  Hydrophobic surface: 439.811  Hydrophilic surface: 91.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.