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PUBCHEM-ZINC06416348

 MMsINC code: MMs03717438
Type: Neutral
Formula: C13H13NO3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)CO)c1ccccc1
InChI:   InChI=1/C13H13NO3S/c15-10-11-6-8-12(9-7-11)14-18(16,17)13-4-2-1-3-5-13/h1-9,14-15H,10H2

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Potential Energy
Epot(MMFF94)=35.1736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.317 g/mol  logS: -2.81774  SlogP: 2.2461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135964  Sterimol/B1: 2.48559  Sterimol/B2: 3.28678  Sterimol/B3: 3.72966
  Sterimol/B4: 6.8637  Sterimol/L: 13.3344 
 
 Surface and Volume Properties
  Accessible surface: 462.982  Positive charged surface: 264.72  Negative charged surface: 198.262  Volume: 236.375
  Hydrophobic surface: 316.939  Hydrophilic surface: 146.043
 
 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.