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NCID-ZINC01725612

 MMsINC code: MMs02349432
Type: Neutral
Formula: C12H26O4S2
SMILES:   S(=O)(=O)(C(C)(C)C)CCCCS(=O)(=O)C(C)(C)C
InChI:   InChI=1/C12H26O4S2/c1-11(2,3)17(13,14)9-7-8-10-18(15,16)12(4,5)6/h7-10H2,1-6H3

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Potential Energy
Epot(MMFF94)=32.5308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.468 g/mol  logS: -2.17968  SlogP: 2.1932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653492  Sterimol/B1: 2.3747  Sterimol/B2: 2.72793  Sterimol/B3: 4.44774
  Sterimol/B4: 4.87453  Sterimol/L: 16.701 
 
 Surface and Volume Properties
  Accessible surface: 527.796  Positive charged surface: 310.197  Negative charged surface: 217.599  Volume: 280.125
  Hydrophobic surface: 318.824  Hydrophilic surface: 208.972
 
 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.