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PUBCHEM-ZINC05113104

 MMsINC code: MMs03201470
Type: Neutral
Formula: C10H24N2O6S2
SMILES:   S(OCCCCCCCCCCOS(=O)(=O)N)(=O)(=O)N
InChI:   InChI=1/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)

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Potential Energy
Epot(MMFF94)=-56.3926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.442 g/mol  logS: -3.3618  SlogP: 0.5474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245112  Sterimol/B1: 2.5762  Sterimol/B2: 2.68436  Sterimol/B3: 3.39173
  Sterimol/B4: 3.52616  Sterimol/L: 21.7629 
 
 Surface and Volume Properties
  Accessible surface: 601.792  Positive charged surface: 383.966  Negative charged surface: 217.826  Volume: 280.25
  Hydrophobic surface: 300.507  Hydrophilic surface: 301.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.