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MAYBRIDGE-ZINC04334827

 MMsINC code: MMs02167887
Type: Neutral
Formula: C16H22FN3O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)CC(=O)N1CCOCC1)c1ccc(F)cc1
InChI:   InChI=1/C16H22FN3O4S/c17-14-1-3-15(4-2-14)25(22,23)20-7-5-18(6-8-20)13-16(21)19-9-11-24-12-10-19/h1-4H,5-13H2

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Potential Energy
Epot(MMFF94)=97.963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.433 g/mol  logS: -1.99821  SlogP: -0.0092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575411  Sterimol/B1: 2.51198  Sterimol/B2: 3.42356  Sterimol/B3: 4.54124
  Sterimol/B4: 5.79814  Sterimol/L: 17.9156 
 
 Surface and Volume Properties
  Accessible surface: 592.962  Positive charged surface: 413.646  Negative charged surface: 179.316  Volume: 324.75
  Hydrophobic surface: 499.632  Hydrophilic surface: 93.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs02167888
MAYBRIDGE-ZINC04334827