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NCID-ZINC01631298

 MMsINC code: MMs02276288
Type: Neutral
Formula: C17H20O4S4
SMILES:   S(SCCCSS(=O)(=O)c1ccc(cc1)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C17H20O4S4/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.5916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.607 g/mol  logS: -6.81781  SlogP: 4.23754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051995  Sterimol/B1: 2.32693  Sterimol/B2: 3.5445  Sterimol/B3: 4.82237
  Sterimol/B4: 7.0978  Sterimol/L: 18.9346 
 
 Surface and Volume Properties
  Accessible surface: 647.419  Positive charged surface: 295.991  Negative charged surface: 351.429  Volume: 357.375
  Hydrophobic surface: 461.072  Hydrophilic surface: 186.347
 
 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.