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PUBCHEM-ZINC05469530

 MMsINC code: MMs03278807
Type: Neutral
Formula: C8H20N2O4S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)C)CCN(CC)CC)C
InChI:   InChI=1/C8H20N2O4S2/c1-5-9(6-2)7-8-10(15(3,11)12)16(4,13)14/h5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=-9.15956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.39 g/mol  logS: -0.06841  SlogP: -0.4506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248028  Sterimol/B1: 2.22668  Sterimol/B2: 2.31433  Sterimol/B3: 5.24341
  Sterimol/B4: 6.31168  Sterimol/L: 11.8602 
 
 Surface and Volume Properties
  Accessible surface: 467.025  Positive charged surface: 283.509  Negative charged surface: 183.516  Volume: 238.625
  Hydrophobic surface: 319.652  Hydrophilic surface: 147.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03278808
PUBCHEM-ZINC05469530