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ASINEX-ZINC00170191

 MMsINC code: MMs00083763
Type: Neutral
Formula: C11H7ClF3NO2S2
SMILES:   Clc1ccc(NS(=O)(=O)c2sccc2)cc1C(F)(F)F
InChI:   InChI=1/C11H7ClF3NO2S2/c12-9-4-3-7(6-8(9)11(13,14)15)16-20(17,18)10-2-1-5-19-10/h1-6,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.761 g/mol  logS: -4.80257  SlogP: 4.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228972  Sterimol/B1: 2.4583  Sterimol/B2: 3.71189  Sterimol/B3: 3.73991
  Sterimol/B4: 6.12341  Sterimol/L: 11.9981 
 
 Surface and Volume Properties
  Accessible surface: 468.489  Positive charged surface: 138.898  Negative charged surface: 329.591  Volume: 243.125
  Hydrophobic surface: 292.296  Hydrophilic surface: 176.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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
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Ions/Tautomers related molecules: no related molecules available.