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MAYBRIDGE-ZINC03129101

 MMsINC code: MMs02161078
Type: Neutral
Formula: C15H14O4S
SMILES:   S(Oc1ccccc1C(=O)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H14O4S/c1-11-7-9-13(10-8-11)20(17,18)19-15-6-4-3-5-14(15)12(2)16/h3-10H,1-2H3

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Potential Energy
Epot(MMFF94)=102.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.339 g/mol  logS: -4.2684  SlogP: 2.96532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14729  Sterimol/B1: 2.86204  Sterimol/B2: 3.30793  Sterimol/B3: 4.45199
  Sterimol/B4: 6.38455  Sterimol/L: 12.9908 
 
 Surface and Volume Properties
  Accessible surface: 453.945  Positive charged surface: 240.104  Negative charged surface: 213.841  Volume: 259.5
  Hydrophobic surface: 369.99  Hydrophilic surface: 83.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.