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PUBCHEM-ZINC05304956

 MMsINC code: MMs03235750
Type: Neutral
Formula: C17H22FNO3S
SMILES:   S(=O)(=O)(NCc1ccc(F)cc1)CC12CCC(CC1=O)C2(C)C
InChI:   InChI=1/C17H22FNO3S/c1-16(2)13-7-8-17(16,15(20)9-13)11-23(21,22)19-10-12-3-5-14(18)6-4-12/h3-6,13,19H,7-11H2,1-2H3/t13-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=58.9663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.431 g/mol  logS: -3.6294  SlogP: 2.9069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902107  Sterimol/B1: 2.10254  Sterimol/B2: 2.93432  Sterimol/B3: 5.25887
  Sterimol/B4: 5.74192  Sterimol/L: 16.4357 
 
 Surface and Volume Properties
  Accessible surface: 550.281  Positive charged surface: 315.774  Negative charged surface: 234.508  Volume: 307.375
  Hydrophobic surface: 425.332  Hydrophilic surface: 124.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.