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LOPAC-ZINC02516028

 MMsINC code: MMs02125665
Type: Neutral
Formula: C5H11NO3S
SMILES:   S(O)(=O)(=O)C1CCNCC1
InChI:   InChI=1/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)

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Potential Energy
Epot(MMFF94)=-10.0698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.213 g/mol  logS: 0.06959  SlogP: -0.9395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188124  Sterimol/B1: 2.43679  Sterimol/B2: 3.11233  Sterimol/B3: 3.20622
  Sterimol/B4: 5.09381  Sterimol/L: 9.52219 
 
 Surface and Volume Properties
  Accessible surface: 318.832  Positive charged surface: 215.939  Negative charged surface: 102.893  Volume: 135.75
  Hydrophobic surface: 175.857  Hydrophilic surface: 142.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.