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CHEMBRIDGE-ZINC01190172

 MMsINC code: MMs00684514
Type: Neutral
Formula: C17H11ClN2O2S2
SMILES:   Clc1c2c(sc1C(=O)Nc1sc3cc(OC)ccc3n1)cccc2
InChI:   InChI=1/C17H11ClN2O2S2/c1-22-9-6-7-11-13(8-9)24-17(19-11)20-16(21)15-14(18)10-4-2-3-5-12(10)23-15/h2-8H,1H3,(H,19,20,21)

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Potential Energy
Epot(MMFF94)=63.0092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.872 g/mol  logS: -7.07974  SlogP: 5.4253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00157967  Sterimol/B1: 2.37448  Sterimol/B2: 2.37562  Sterimol/B3: 4.13593
  Sterimol/B4: 5.01531  Sterimol/L: 20.3738 
 
 Surface and Volume Properties
  Accessible surface: 588.382  Positive charged surface: 285.186  Negative charged surface: 297.567  Volume: 313.25
  Hydrophobic surface: 513.175  Hydrophilic surface: 75.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.