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ASINEX-ZINC00799653

 MMsINC code: MMs00169462
Type: Neutral
Formula: C19H15FO4S
SMILES:   S(=O)(=O)(C(CC(=O)c1ccc(F)cc1)c1occc1)c1ccccc1
InChI:   InChI=1/C19H15FO4S/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-24-18)25(22,23)16-5-2-1-3-6-16/h1-12,19H,13H2/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=72.9106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.389 g/mol  logS: -5.32119  SlogP: 4.3022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591823  Sterimol/B1: 3.11921  Sterimol/B2: 3.87836  Sterimol/B3: 3.95618
  Sterimol/B4: 7.19121  Sterimol/L: 16.8253 
 
 Surface and Volume Properties
  Accessible surface: 564.638  Positive charged surface: 272.25  Negative charged surface: 292.388  Volume: 313.75
  Hydrophobic surface: 498.248  Hydrophilic surface: 66.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.