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PUBCHEM-ZINC06520553

 MMsINC code: MMs03779001
Type: Neutral
Formula: C15H12Cl3NO2S
SMILES:   Clc1ccc(NC(=O)c2ccsc2C)cc1OCC=C(Cl)Cl
InChI:   InChI=1/C15H12Cl3NO2S/c1-9-11(5-7-22-9)15(20)19-10-2-3-12(16)13(8-10)21-6-4-14(17)18/h2-5,7-8H,6H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=71.6087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.691 g/mol  logS: -6.26457  SlogP: 5.76892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489831  Sterimol/B1: 2.77605  Sterimol/B2: 4.1038  Sterimol/B3: 4.95006
  Sterimol/B4: 5.85366  Sterimol/L: 17.3444 
 
 Surface and Volume Properties
  Accessible surface: 594.069  Positive charged surface: 208.125  Negative charged surface: 385.944  Volume: 308.5
  Hydrophobic surface: 539.781  Hydrophilic surface: 54.288
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.