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ENAMINE-ZINC00314025

 MMsINC code: MMs01228346
Type: Tautomer
Formula: C19H15NO3S
SMILES:   s1c(NC(=O)c2ccc(cc2)-c2ccccc2)c(cc1C)C(O)=O
InChI:   InChI=1/C19H15NO3S/c1-12-11-16(19(22)23)18(24-12)20-17(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=85.2462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.399 g/mol  logS: -6.02905  SlogP: 4.67402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00173656  Sterimol/B1: 2.1936  Sterimol/B2: 2.5122  Sterimol/B3: 2.59816
  Sterimol/B4: 7.20546  Sterimol/L: 19.0723 
 
 Surface and Volume Properties
  Accessible surface: 577.522  Positive charged surface: 280.741  Negative charged surface: 285.709  Volume: 310.75
  Hydrophobic surface: 457.235  Hydrophilic surface: 120.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Parent related molecule:


MMs01228345
ENAMINE-ZINC00314025