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MAYBRIDGE-ZINC01040604

 MMsINC code: MMs02153830
Type: Neutral
Formula: C13H9Cl3OS2
SMILES:   Clc1cccc(Cl)c1SCCC(=O)c1sc(Cl)cc1
InChI:   InChI=1/C13H9Cl3OS2/c14-8-2-1-3-9(15)13(8)18-7-6-10(17)11-4-5-12(16)19-11/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=47.6438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.705 g/mol  logS: -6.70825  SlogP: 6.0734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563991  Sterimol/B1: 3.1687  Sterimol/B2: 4.25892  Sterimol/B3: 4.74955
  Sterimol/B4: 4.75472  Sterimol/L: 17.2655 
 
 Surface and Volume Properties
  Accessible surface: 539.617  Positive charged surface: 174.656  Negative charged surface: 364.961  Volume: 278.875
  Hydrophobic surface: 484.072  Hydrophilic surface: 55.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.