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PUBCHEM-ZINC06878689

 MMsINC code: MMs03885750
Type: Neutral
Formula: C10H22N4O5S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)N(C)C)CC1)N1CCOCC1
InChI:   InChI=1/C10H22N4O5S2/c1-11(2)20(15,16)12-3-5-13(6-4-12)21(17,18)14-7-9-19-10-8-14/h3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=-2.33818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.441 g/mol  logS: 0.65532  SlogP: -2.0126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536513  Sterimol/B1: 2.3178  Sterimol/B2: 3.37434  Sterimol/B3: 3.94719
  Sterimol/B4: 4.85378  Sterimol/L: 15.3575 
 
 Surface and Volume Properties
  Accessible surface: 523.72  Positive charged surface: 415.134  Negative charged surface: 108.586  Volume: 285.75
  Hydrophobic surface: 408.381  Hydrophilic surface: 115.339
 
 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: no related molecules available.