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ASINEX-ZINC01762690

 MMsINC code: MMs00256489
Type: Neutral
Formula: C8H18N2O5S
SMILES:   S(O)(=O)(=O)N(CC(O)CN1CCOCC1)C
InChI:   InChI=1/C8H18N2O5S/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10/h8,11H,2-7H2,1H3,(H,12,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.307 g/mol  logS: 0.62921  SlogP: -2.1516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919239  Sterimol/B1: 2.1933  Sterimol/B2: 3.00375  Sterimol/B3: 3.85692
  Sterimol/B4: 5.37566  Sterimol/L: 13.5068 
 
 Surface and Volume Properties
  Accessible surface: 448.7  Positive charged surface: 348.927  Negative charged surface: 99.7734  Volume: 218
  Hydrophobic surface: 299.335  Hydrophilic surface: 149.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.