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


NCID-ZINC01658364

 MMsINC code: MMs02296296
Type: Neutral
Formula: C17H10ClF2NO3S2
SMILES:   Clc1ccc(S(=O)(=O)c2ccsc2NC(=O)c2ccc(F)cc2F)cc1
InChI:   InChI=1/C17H10ClF2NO3S2/c18-10-1-4-12(5-2-10)26(23,24)15-7-8-25-17(15)21-16(22)13-6-3-11(19)9-14(13)20/h1-9H,(H,21,22)

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)=94.3067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.852 g/mol  logS: -6.60868  SlogP: 4.7648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105649  Sterimol/B1: 3.83578  Sterimol/B2: 4.48748  Sterimol/B3: 5.15695
  Sterimol/B4: 7.56236  Sterimol/L: 13.2038 
 
 Surface and Volume Properties
  Accessible surface: 557.435  Positive charged surface: 184.548  Negative charged surface: 372.887  Volume: 318.625
  Hydrophobic surface: 476.103  Hydrophilic surface: 81.332
 
 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.