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ASINEX-ZINC00792909

 MMsINC code: MMs00165511
Type: Neutral
Formula: C19H17NO3S2
SMILES:   s1cccc1-c1csc(NC(=O)c2cc(ccc2)C)c1C(OCC)=O
InChI:   InChI=1/C19H17NO3S2/c1-3-23-19(22)16-14(15-8-5-9-24-15)11-25-18(16)20-17(21)13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=83.4197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.481 g/mol  logS: -6.55167  SlogP: 5.21402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336128  Sterimol/B1: 2.09427  Sterimol/B2: 2.51193  Sterimol/B3: 4.96637
  Sterimol/B4: 9.10641  Sterimol/L: 17.991 
 
 Surface and Volume Properties
  Accessible surface: 627.926  Positive charged surface: 320.253  Negative charged surface: 307.674  Volume: 339.875
  Hydrophobic surface: 545.351  Hydrophilic surface: 82.575
 
 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.