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PUBCHEM-ZINC06069026

 MMsINC code: MMs03521942
Type: Neutral
Formula: C14H14O4S
SMILES:   S(c1ccc(O)c(C)c1O)c1ccc(O)c(C)c1O
InChI:   InChI=1/C14H14O4S/c1-7-9(15)3-5-11(13(7)17)19-12-6-4-10(16)8(2)14(12)18/h3-6,15-18H,1-2H3

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Potential Energy
Epot(MMFF94)=71.4278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.328 g/mol  logS: -3.10328  SlogP: 3.27704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124788  Sterimol/B1: 3.79974  Sterimol/B2: 3.87429  Sterimol/B3: 4.12235
  Sterimol/B4: 4.18569  Sterimol/L: 13.8328 
 
 Surface and Volume Properties
  Accessible surface: 487.279  Positive charged surface: 298.973  Negative charged surface: 188.306  Volume: 250.625
  Hydrophobic surface: 301.766  Hydrophilic surface: 185.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.