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IBS-ZINC00098587

 MMsINC code: MMs01729870
Type: Neutral
Formula: C19H15NO3S
SMILES:   s1cc(-c2ccccc2)c(C(O)=O)c1NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H15NO3S/c1-12-7-9-14(10-8-12)17(21)20-18-16(19(22)23)15(11-24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=84.7258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.399 g/mol  logS: -6.18958  SlogP: 4.67402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191506  Sterimol/B1: 2.95424  Sterimol/B2: 3.12291  Sterimol/B3: 3.55965
  Sterimol/B4: 5.57295  Sterimol/L: 18.5877 
 
 Surface and Volume Properties
  Accessible surface: 578.962  Positive charged surface: 284.845  Negative charged surface: 294.117  Volume: 311.875
  Hydrophobic surface: 469.28  Hydrophilic surface: 109.682
 
 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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Ions/Tautomers related molecules


MMs01729871
IBS-ZINC00098587