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IBS-ZINC00055681

 MMsINC code: MMs01728947
Type: Neutral
Formula: C18H14FNO3S
SMILES:   S(O)(=O)c1c2c(ccc1)c(ccc2)CC(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C18H14FNO3S/c19-13-7-9-14(10-8-13)20-18(21)11-12-3-1-5-16-15(12)4-2-6-17(16)24(22)23/h1-10H,11H2,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=103.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.378 g/mol  logS: -5.78875  SlogP: 3.17497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120501  Sterimol/B1: 2.38501  Sterimol/B2: 3.74426  Sterimol/B3: 4.51788
  Sterimol/B4: 6.93165  Sterimol/L: 16.1131 
 
 Surface and Volume Properties
  Accessible surface: 558.414  Positive charged surface: 289.601  Negative charged surface: 259.971  Volume: 298.875
  Hydrophobic surface: 425.124  Hydrophilic surface: 133.29
 
 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


MMs01728948
IBS-ZINC00055681