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NCID-ZINC01563769

 MMsINC code: MMs02225527
Type: Neutral
Formula: C14H14O4S3
SMILES:   s1cccc1C(=O)CCS(=O)(=O)CCC(=O)c1sccc1
InChI:   InChI=1/C14H14O4S3/c15-11(13-3-1-7-19-13)5-9-21(17,18)10-6-12(16)14-4-2-8-20-14/h1-4,7-8H,5-6,9-10H2

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Potential Energy
Epot(MMFF94)=29.2073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.46 g/mol  logS: -3.27739  SlogP: 3.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105296  Sterimol/B1: 3.03546  Sterimol/B2: 3.03568  Sterimol/B3: 3.44402
  Sterimol/B4: 3.89403  Sterimol/L: 19.9254 
 
 Surface and Volume Properties
  Accessible surface: 566.965  Positive charged surface: 241.014  Negative charged surface: 325.952  Volume: 291.5
  Hydrophobic surface: 442.173  Hydrophilic surface: 124.792
 
 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.