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ENAMINE-ZINC03272916

 MMsINC code: MMs01343637
Type: Neutral
Formula: C18H15NO5S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc(O)c(cc1)C(OCc1ccccc1)=O
InChI:   InChI=1/C18H15NO5S2/c20-16-11-14(19-26(22,23)17-7-4-10-25-17)8-9-15(16)18(21)24-12-13-5-2-1-3-6-13/h1-11,19-20H,12H2

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Potential Energy
Epot(MMFF94)=81.5435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.452 g/mol  logS: -4.79941  SlogP: 3.8779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103451  Sterimol/B1: 3.184  Sterimol/B2: 3.63408  Sterimol/B3: 4.70538
  Sterimol/B4: 6.74333  Sterimol/L: 16.8346 
 
 Surface and Volume Properties
  Accessible surface: 622.383  Positive charged surface: 313.8  Negative charged surface: 308.583  Volume: 332.375
  Hydrophobic surface: 461.076  Hydrophilic surface: 161.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.