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NCID-ZINC01720461

 MMsINC code: MMs02345475
Type: Neutral
Formula: C14H14O4S3
SMILES:   S(SS(=O)(=O)c1ccc(cc1)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H14O4S3/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Potential Energy
Epot(MMFF94)=32.9796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.46 g/mol  logS: -5.62416  SlogP: 3.11424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748041  Sterimol/B1: 2.46808  Sterimol/B2: 3.74379  Sterimol/B3: 4.99191
  Sterimol/B4: 5.74311  Sterimol/L: 16.1966 
 
 Surface and Volume Properties
  Accessible surface: 528.169  Positive charged surface: 233.305  Negative charged surface: 294.864  Volume: 283.5
  Hydrophobic surface: 393.993  Hydrophilic surface: 134.176
 
 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.