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PUBCHEM-ZINC05985509

 MMsINC code: MMs03477811
Type: Neutral
Formula: C18H15NO4S3
SMILES:   s1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1C(OC)=O
InChI:   InChI=1/C18H15NO4S3/c1-23-18(20)17-16(11-12-24-17)26(21,22)19-14-9-5-6-10-15(14)25-13-7-3-2-4-8-13/h2-12,19H,1H3

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Potential Energy
Epot(MMFF94)=78.6882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.519 g/mol  logS: -6.08038  SlogP: 4.4867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0927414  Sterimol/B1: 2.10162  Sterimol/B2: 2.90581  Sterimol/B3: 5.16511
  Sterimol/B4: 8.6174  Sterimol/L: 16.0672 
 
 Surface and Volume Properties
  Accessible surface: 610.731  Positive charged surface: 309.121  Negative charged surface: 301.61  Volume: 340.125
  Hydrophobic surface: 495.088  Hydrophilic surface: 115.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.