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IBS-ZINC02283630

 MMsINC code: MMs01823429
Type: Ionized
Formula: C6H13O5S3-
SMILES:   S(=O)(=O)(CC(C)C)CCSS(=O)(=O)[O-]
InChI:   InChI=1/C6H14O5S3/c1-6(2)5-13(7,8)4-3-12-14(9,10)11/h6H,3-5H2,1-2H3,(H,9,10,11)/p-1

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Potential Energy
Epot(MMFF94)=-7.54278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.363 g/mol  logS: -1.62833  SlogP: 0.2506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094936  Sterimol/B1: 2.67237  Sterimol/B2: 2.71425  Sterimol/B3: 4.36745
  Sterimol/B4: 4.77548  Sterimol/L: 13.8463 
 
 Surface and Volume Properties
  Accessible surface: 430.297  Positive charged surface: 192.795  Negative charged surface: 237.502  Volume: 201.75
  Hydrophobic surface: 188.279  Hydrophilic surface: 242.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs01823428
IBS-ZINC02283630