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PUBCHEM-ZINC05133997

 MMsINC code: MMs03208938
Type: Neutral
Formula: C6H13NO3S
SMILES:   S(O)(=O)(=O)C1CCCCC1N
InChI:   InChI=1/C6H13NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h5-6H,1-4,7H2,(H,8,9,10)/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=1.92598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.24 g/mol  logS: -0.25837  SlogP: -0.4216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235237  Sterimol/B1: 2.77355  Sterimol/B2: 3.46721  Sterimol/B3: 3.51463
  Sterimol/B4: 4.03742  Sterimol/L: 10.0415 
 
 Surface and Volume Properties
  Accessible surface: 330.539  Positive charged surface: 219.804  Negative charged surface: 110.735  Volume: 151.25
  Hydrophobic surface: 183.48  Hydrophilic surface: 147.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.