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PUBCHEM-ZINC05535372

 MMsINC code: MMs03300998
Type: Neutral
Formula: C8H18N2O6S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)C)CC(OCCN(C)C)=O)C
InChI:   InChI=1/C8H18N2O6S2/c1-9(2)5-6-16-8(11)7-10(17(3,12)13)18(4,14)15/h5-7H2,1-4H3

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Potential Energy
Epot(MMFF94)=-0.257627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.372 g/mol  logS: 0.17784  SlogP: -1.6876  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0885348  Sterimol/B1: 2.33009  Sterimol/B2: 3.79915  Sterimol/B3: 5.0645
  Sterimol/B4: 5.64818  Sterimol/L: 14.0235 
 
 Surface and Volume Properties
  Accessible surface: 499.66  Positive charged surface: 338.136  Negative charged surface: 161.524  Volume: 248.875
  Hydrophobic surface: 365.876  Hydrophilic surface: 133.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs03300999
PUBCHEM-ZINC05535372