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PUBCHEM-ZINC05848687

 MMsINC code: MMs03415360
Type: Neutral
Formula: C5H10NO3S-
SMILES:   S(O)(=O)(=O)C1CCC[N-]C1
InChI:   InChI=1/C5H10NO3S/c7-10(8,9)5-2-1-3-6-4-5/h5H,1-4H2,(H,7,8,9)/q-1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=3.89346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.205 g/mol  logS: 0.0452  SlogP: -0.1554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152089  Sterimol/B1: 2.75086  Sterimol/B2: 2.84088  Sterimol/B3: 3.63208
  Sterimol/B4: 4.4172  Sterimol/L: 9.99139 
 
 Surface and Volume Properties
  Accessible surface: 315.275  Positive charged surface: 175.916  Negative charged surface: 139.359  Volume: 135.75
  Hydrophobic surface: 182.128  Hydrophilic surface: 133.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 1  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.