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SIAL-ZINC04532185

 MMsINC code: MMs03918185
Type: Neutral
Formula: C12H7Cl3O3S
SMILES:   Clc1cccc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C12H7Cl3O3S/c13-8-4-6-9(7-5-8)19(16,17)18-12-10(14)2-1-3-11(12)15/h1-7H

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Potential Energy
Epot(MMFF94)=76.4215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.61 g/mol  logS: -5.68508  SlogP: 4.4145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102565  Sterimol/B1: 2.85526  Sterimol/B2: 3.5138  Sterimol/B3: 3.58628
  Sterimol/B4: 6.57823  Sterimol/L: 12.8436 
 
 Surface and Volume Properties
  Accessible surface: 455.955  Positive charged surface: 141.572  Negative charged surface: 314.383  Volume: 249.125
  Hydrophobic surface: 393.723  Hydrophilic surface: 62.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules: no related molecules available.