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PUBCHEM-ZINC03616858

 MMsINC code: MMs03023349
Type: Neutral
Formula: C10H20N2O5S
SMILES:   S(O)(=O)(=O)CCCN1CCN(CC1)C(OCC)=O
InChI:   InChI=1/C10H20N2O5S/c1-2-17-10(13)12-7-5-11(6-8-12)4-3-9-18(14,15)16/h2-9H2,1H3,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=13.2125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.345 g/mol  logS: -0.3302  SlogP: -0.5273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422589  Sterimol/B1: 2.46  Sterimol/B2: 2.78406  Sterimol/B3: 3.68307
  Sterimol/B4: 6.45501  Sterimol/L: 17.0713 
 
 Surface and Volume Properties
  Accessible surface: 519.117  Positive charged surface: 374.025  Negative charged surface: 145.092  Volume: 247.375
  Hydrophobic surface: 333.423  Hydrophilic surface: 185.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.