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APOLLO-ZINC00166174

 MMsINC code: MMs00048024
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(NC(C(O)=O)c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=39.1537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.28158  SlogP: 2.0254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256273  Sterimol/B1: 2.31822  Sterimol/B2: 4.01671  Sterimol/B3: 4.15214
  Sterimol/B4: 7.24987  Sterimol/L: 11.8888 
 
 Surface and Volume Properties
  Accessible surface: 497.652  Positive charged surface: 227.571  Negative charged surface: 270.081  Volume: 258.875
  Hydrophobic surface: 347.573  Hydrophilic surface: 150.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00048025
APOLLO-ZINC00166174