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CHEMBLOCK-ZINC04623537

 MMsINC code: MMs00563820
Type: Neutral
Formula: C17H15N3O4S
SMILES:   S(=O)(=O)(NC1=CC(=CNC1=O)c1ccncc1)c1ccc(OC)cc1
InChI:   InChI=1/C17H15N3O4S/c1-24-14-2-4-15(5-3-14)25(22,23)20-16-10-13(11-19-17(16)21)12-6-8-18-9-7-12/h2-11,20H,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=96.8367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.39 g/mol  logS: -2.95794  SlogP: 1.4233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222894  Sterimol/B1: 2.79593  Sterimol/B2: 3.15182  Sterimol/B3: 5.12364
  Sterimol/B4: 8.7356  Sterimol/L: 11.6637 
 
 Surface and Volume Properties
  Accessible surface: 551.165  Positive charged surface: 347.968  Negative charged surface: 203.197  Volume: 307.75
  Hydrophobic surface: 365.056  Hydrophilic surface: 186.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.