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PUBCHEM-ZINC01258324

 MMsINC code: MMs02792009
Type: Neutral
Formula: C15H15NO2S
SMILES:   SCCc1cc(ccc1)-c1cc(ccc1)C(=O)NO
InChI:   InChI=1/C15H15NO2S/c17-15(16-18)14-6-2-5-13(10-14)12-4-1-3-11(9-12)7-8-19/h1-6,9-10,18-19H,7-8H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=94.5072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.356 g/mol  logS: -4.89026  SlogP: 2.94487  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0245108  Sterimol/B1: 2.55607  Sterimol/B2: 2.65992  Sterimol/B3: 3.0917
  Sterimol/B4: 7.33805  Sterimol/L: 17.3858 
 
 Surface and Volume Properties
  Accessible surface: 515.345  Positive charged surface: 257.525  Negative charged surface: 246.749  Volume: 261.125
  Hydrophobic surface: 338.23  Hydrophilic surface: 177.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.