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APOLLO-ZINC00166172

 MMsINC code: MMs00048022
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-/m0/s1

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Potential Energy
Epot(MMFF94)=38.3519 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: 0.112773  Sterimol/B1: 3.41477  Sterimol/B2: 3.93594  Sterimol/B3: 4.52634
  Sterimol/B4: 4.66222  Sterimol/L: 14.7245 
 
 Surface and Volume Properties
  Accessible surface: 492.119  Positive charged surface: 226.323  Negative charged surface: 265.796  Volume: 257.25
  Hydrophobic surface: 353.247  Hydrophilic surface: 138.872
 
 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


MMs00048023
APOLLO-ZINC00166172