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PUBCHEM-ZINC06168075

 MMsINC code: MMs03576615
Type: Neutral
Formula: C15H27N3O5S2
SMILES:   s1cc(nc1CN(S(=O)(=O)CC)CCCOC)C(=O)NCCCOC
InChI:   InChI=1/C15H27N3O5S2/c1-4-25(20,21)18(8-6-10-23-3)11-14-17-13(12-24-14)15(19)16-7-5-9-22-2/h12H,4-11H2,1-3H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=27.1492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.529 g/mol  logS: -1.25901  SlogP: 1.364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642519  Sterimol/B1: 2.20678  Sterimol/B2: 4.07618  Sterimol/B3: 5.666
  Sterimol/B4: 10.4818  Sterimol/L: 17.7348 
 
 Surface and Volume Properties
  Accessible surface: 697.185  Positive charged surface: 514.946  Negative charged surface: 182.238  Volume: 361.375
  Hydrophobic surface: 545.402  Hydrophilic surface: 151.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.