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PUBCHEM-ZINC01257989

 MMsINC code: MMs02791883
Type: Neutral
Formula: C15H15NO2S
SMILES:   SCCc1ccccc1-c1ccc(cc1)C(=O)NO
InChI:   InChI=1/C15H15NO2S/c17-15(16-18)13-7-5-12(6-8-13)14-4-2-1-3-11(14)9-10-19/h1-8,18-19H,9-10H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=97.0047 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: 0.111502  Sterimol/B1: 3.05217  Sterimol/B2: 3.55299  Sterimol/B3: 3.97028
  Sterimol/B4: 7.35528  Sterimol/L: 14.9669 
 
 Surface and Volume Properties
  Accessible surface: 496.497  Positive charged surface: 267.707  Negative charged surface: 226.266  Volume: 258.125
  Hydrophobic surface: 321.633  Hydrophilic surface: 174.864
 
 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.