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CHEMBLOCK-ZINC00092117

 MMsINC code: MMs00496426
Type: Neutral
Formula: C15H15NO2S
SMILES:   s1cc2c(CCCC2)c1C(=O)Nc1ccc(O)cc1
InChI:   InChI=1/C15H15NO2S/c17-12-7-5-11(6-8-12)16-15(18)14-13-4-2-1-3-10(13)9-19-14/h5-9,17H,1-4H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=52.4691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.356 g/mol  logS: -4.04893  SlogP: 3.58474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299314  Sterimol/B1: 2.22091  Sterimol/B2: 3.42015  Sterimol/B3: 3.75092
  Sterimol/B4: 5.53651  Sterimol/L: 15.4705 
 
 Surface and Volume Properties
  Accessible surface: 489.944  Positive charged surface: 303.151  Negative charged surface: 186.793  Volume: 255.5
  Hydrophobic surface: 409.503  Hydrophilic surface: 80.441
 
 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.