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MAYBRIDGE-ZINC00108465

 MMsINC code: MMs02132973
Type: Neutral
Formula: C15H10ClNOS2
SMILES:   Clc1ccc(NC(=O)c2sc(cc2)-c2sccc2)cc1
InChI:   InChI=1/C15H10ClNOS2/c16-10-3-5-11(6-4-10)17-15(18)14-8-7-13(20-14)12-2-1-9-19-12/h1-9H,(H,17,18)

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Potential Energy
Epot(MMFF94)=56.3896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.836 g/mol  logS: -5.91356  SlogP: 5.3823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00836504  Sterimol/B1: 2.38429  Sterimol/B2: 2.45586  Sterimol/B3: 2.75598
  Sterimol/B4: 5.92868  Sterimol/L: 18.951 
 
 Surface and Volume Properties
  Accessible surface: 527.538  Positive charged surface: 203.901  Negative charged surface: 323.637  Volume: 274.75
  Hydrophobic surface: 487.49  Hydrophilic surface: 40.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.