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PUBCHEM-ZINC00469424

 MMsINC code: MMs02687801
Type: Neutral
Formula: C14H23NO3S
SMILES:   S(=O)(=O)(N)c1cc(cc(C(C)(C)C)c1O)C(C)(C)C
InChI:   InChI=1/C14H23NO3S/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(8-9)19(15,17)18/h7-8,16H,1-6H3,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=58.7889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.408 g/mol  logS: -4.97525  SlogP: 2.6346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176689  Sterimol/B1: 2.30258  Sterimol/B2: 3.75112  Sterimol/B3: 4.93519
  Sterimol/B4: 7.54498  Sterimol/L: 11.6069 
 
 Surface and Volume Properties
  Accessible surface: 495.188  Positive charged surface: 303.392  Negative charged surface: 191.795  Volume: 274.25
  Hydrophobic surface: 251.539  Hydrophilic surface: 243.649
 
 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: no related molecules available.