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IBS-ZINC00226104

 MMsINC code: MMs01732899
Type: Neutral
Formula: C7H5Cl3O2S
SMILES:   Clc1ccc(S(=O)(=O)C(Cl)Cl)cc1
InChI:   InChI=1/C7H5Cl3O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.54 g/mol  logS: -3.22691  SlogP: 3.2948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150154  Sterimol/B1: 2.42095  Sterimol/B2: 3.05792  Sterimol/B3: 3.99881
  Sterimol/B4: 4.81665  Sterimol/L: 11.5471 
 
 Surface and Volume Properties
  Accessible surface: 382.96  Positive charged surface: 95.1971  Negative charged surface: 287.762  Volume: 185.125
  Hydrophobic surface: 210.769  Hydrophilic surface: 172.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.