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


NCID-ZINC01722954

 MMsINC code: MMs02347294
Type: Neutral
Formula: C10H11Cl3N2O3S
SMILES:   ClC(Cl)(Cl)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C10H11Cl3N2O3S/c1-15(2)19(17,18)8-5-3-7(4-6-8)14-9(16)10(11,12)13/h3-6H,1-2H3,(H,14,16)

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)=62.7232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.634 g/mol  logS: -3.90829  SlogP: 2.6655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736138  Sterimol/B1: 2.93201  Sterimol/B2: 3.49531  Sterimol/B3: 4.44922
  Sterimol/B4: 4.68379  Sterimol/L: 14.8787 
 
 Surface and Volume Properties
  Accessible surface: 510.791  Positive charged surface: 214.276  Negative charged surface: 296.515  Volume: 263.25
  Hydrophobic surface: 247.343  Hydrophilic surface: 263.448
 
 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.