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CHEMSTAR-ZINC01786849

 MMsINC code: MMs01079190
Type: Neutral
Formula: C14H13ClO3S2
SMILES:   Clc1ccc(SCCS(Oc2ccccc2)(=O)=O)cc1
InChI:   InChI=1/C14H13ClO3S2/c15-12-6-8-14(9-7-12)19-10-11-20(16,17)18-13-4-2-1-3-5-13/h1-9H,10-11H2

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Potential Energy
Epot(MMFF94)=59.5925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.84 g/mol  logS: -5.20838  SlogP: 3.8409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0612999  Sterimol/B1: 2.4063  Sterimol/B2: 3.07522  Sterimol/B3: 4.73686
  Sterimol/B4: 5.76839  Sterimol/L: 16.8467 
 
 Surface and Volume Properties
  Accessible surface: 540.744  Positive charged surface: 220.448  Negative charged surface: 320.296  Volume: 277.5
  Hydrophobic surface: 432.805  Hydrophilic surface: 107.939
 
 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.