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ASINEX-ZINC00287181

 MMsINC code: MMs00109231
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1
InChI:   InChI=1/C17H14N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,19,20)(H2,18,21,22)

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Potential Energy
Epot(MMFF94)=58.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.376 g/mol  logS: -5.45936  SlogP: 2.7395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157379  Sterimol/B1: 2.89369  Sterimol/B2: 3.36681  Sterimol/B3: 4.17727
  Sterimol/B4: 4.18873  Sterimol/L: 18.6772 
 
 Surface and Volume Properties
  Accessible surface: 555.505  Positive charged surface: 269.552  Negative charged surface: 274.881  Volume: 289
  Hydrophobic surface: 387.592  Hydrophilic surface: 167.913
 
 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


MMs00109232
ASINEX-ZINC00287181