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OTAVA-ZINC01926191

 MMsINC code: MMs02568171
Type: Neutral
Formula: C19H16N2O3S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C19H16N2O3S/c1-2-21(13-7-4-3-5-8-13)25(23,24)17-12-11-16-18-14(17)9-6-10-15(18)19(22)20-16/h3-12H,2H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=90.4738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -5.65188  SlogP: 3.6207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122467  Sterimol/B1: 2.26982  Sterimol/B2: 2.68403  Sterimol/B3: 4.98138
  Sterimol/B4: 7.83095  Sterimol/L: 13.1291 
 
 Surface and Volume Properties
  Accessible surface: 530.898  Positive charged surface: 297.983  Negative charged surface: 225.109  Volume: 314.875
  Hydrophobic surface: 381.271  Hydrophilic surface: 149.627
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.