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ASINEX-ZINC00380201

 MMsINC code: MMs00127202
Type: Neutral
Formula: C14H15NO3S
SMILES:   S(=O)(=O)(Nc1ccc(O)cc1)c1cc(ccc1C)C
InChI:   InChI=1/C14H15NO3S/c1-10-3-4-11(2)14(9-10)19(17,18)15-12-5-7-13(16)8-6-12/h3-9,15-16H,1-2H3

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Potential Energy
Epot(MMFF94)=47.4068 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: 0.264754  Sterimol/B1: 2.08127  Sterimol/B2: 3.9949  Sterimol/B3: 4.51732
  Sterimol/B4: 7.69489  Sterimol/L: 11.8233 
 
 Surface and Volume Properties
  Accessible surface: 481.45  Positive charged surface: 268.063  Negative charged surface: 213.388  Volume: 252.125
  Hydrophobic surface: 356.253  Hydrophilic surface: 125.197
 
 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.