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PUBCHEM-ZINC01258942

 MMsINC code: MMs02792192
Type: Neutral
Formula: C15H15NO2S
SMILES:   SCCc1cc(ccc1)-c1ccccc1C(=O)NO
InChI:   InChI=1/C15H15NO2S/c17-15(16-18)14-7-2-1-6-13(14)12-5-3-4-11(10-12)8-9-19/h1-7,10,18-19H,8-9H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=102.638 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: 0.0756001  Sterimol/B1: 2.53821  Sterimol/B2: 3.1302  Sterimol/B3: 3.83885
  Sterimol/B4: 7.83076  Sterimol/L: 14.2414 
 
 Surface and Volume Properties
  Accessible surface: 508.574  Positive charged surface: 288.659  Negative charged surface: 216.788  Volume: 260
  Hydrophobic surface: 352.571  Hydrophilic surface: 156.003
 
 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.