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PUBCHEM-ZINC00383767

 MMsINC code: MMs02668545
Type: Neutral
Formula: C14H15NO3S
SMILES:   S(=O)(=O)(Nc1cc(ccc1O)C)c1ccccc1C
InChI:   InChI=1/C14H15NO3S/c1-10-7-8-13(16)12(9-10)15-19(17,18)14-6-4-3-5-11(14)2/h3-9,15-16H,1-2H3

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Potential Energy
Epot(MMFF94)=55.9731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.344 g/mol  logS: -3.31916  SlogP: 2.80984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259711  Sterimol/B1: 3.42808  Sterimol/B2: 4.04719  Sterimol/B3: 4.24005
  Sterimol/B4: 6.82693  Sterimol/L: 11.4166 
 
 Surface and Volume Properties
  Accessible surface: 466.574  Positive charged surface: 255.503  Negative charged surface: 211.071  Volume: 253.75
  Hydrophobic surface: 356.728  Hydrophilic surface: 109.846
 
 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.