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PUBCHEM-ZINC04667087

 MMsINC code: MMs03150390
Type: Neutral
Formula: C14H22INO2S
SMILES:   Ic1ccc(S(=O)(=O)NC(CC(C)(C)C)(C)C)cc1
InChI:   InChI=1/C14H22INO2S/c1-13(2,3)10-14(4,5)16-19(17,18)12-8-6-11(15)7-9-12/h6-9,16H,10H2,1-5H3

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Potential Energy
Epot(MMFF94)=143.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.305 g/mol  logS: -4.94344  SlogP: 3.7843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15723  Sterimol/B1: 2.24538  Sterimol/B2: 3.58386  Sterimol/B3: 4.83054
  Sterimol/B4: 6.28672  Sterimol/L: 15.3021 
 
 Surface and Volume Properties
  Accessible surface: 515.531  Positive charged surface: 243.211  Negative charged surface: 272.321  Volume: 296.375
  Hydrophobic surface: 393.779  Hydrophilic surface: 121.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.