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PUBCHEM-ZINC00363796

 MMsINC code: MMs02663286
Type: Neutral
Formula: C13H13NO3S
SMILES:   S(=O)(=O)(Nc1ccccc1O)c1ccccc1C
InChI:   InChI=1/C13H13NO3S/c1-10-6-2-5-9-13(10)18(16,17)14-11-7-3-4-8-12(11)15/h2-9,14-15H,1H3

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Potential Energy
Epot(MMFF94)=58.1542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.317 g/mol  logS: -2.84524  SlogP: 2.50142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163947  Sterimol/B1: 2.31349  Sterimol/B2: 2.5438  Sterimol/B3: 5.3393
  Sterimol/B4: 6.46014  Sterimol/L: 12.0512 
 
 Surface and Volume Properties
  Accessible surface: 444.279  Positive charged surface: 231.236  Negative charged surface: 213.042  Volume: 233.625
  Hydrophobic surface: 326.547  Hydrophilic surface: 117.732
 
 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.