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ASINEX-ZINC03893108

 MMsINC code: MMs00292124
Type: Neutral
Formula: C19H16N2O3S
SMILES:   S(=O)(=O)(Nc1cc(ccc1C)C)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C19H16N2O3S/c1-11-6-7-12(2)16(10-11)21-25(23,24)17-9-8-15-18-13(17)4-3-5-14(18)19(22)20-15/h3-10,21H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=86.7627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -5.88348  SlogP: 3.82314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172069  Sterimol/B1: 2.09695  Sterimol/B2: 2.9783  Sterimol/B3: 5.33571
  Sterimol/B4: 8.34028  Sterimol/L: 14.0172 
 
 Surface and Volume Properties
  Accessible surface: 540.561  Positive charged surface: 285.988  Negative charged surface: 247.095  Volume: 310.625
  Hydrophobic surface: 390.497  Hydrophilic surface: 150.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.