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MDPI-ZINC03847542

 MMsINC code: MMs02181063
Type: Neutral
Formula: C16H18O4S
SMILES:   S(=O)(=O)(COC(C)c1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C16H18O4S/c1-13(14-8-10-15(19-2)11-9-14)20-12-21(17,18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=84.9266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.382 g/mol  logS: -3.5192  SlogP: 3.2997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148981  Sterimol/B1: 2.13569  Sterimol/B2: 3.81397  Sterimol/B3: 4.46071
  Sterimol/B4: 9.15158  Sterimol/L: 13.7781 
 
 Surface and Volume Properties
  Accessible surface: 544.605  Positive charged surface: 327.933  Negative charged surface: 216.672  Volume: 287.75
  Hydrophobic surface: 442.204  Hydrophilic surface: 102.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.