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PUBCHEM-ZINC03631470

 MMsINC code: MMs03027695
Type: Neutral
Formula: C5H13NO2S
SMILES:   S(=O)(=O)(N)C(CCC)C
InChI:   InChI=1/C5H13NO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.9751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.23 g/mol  logS: -1.15904  SlogP: 0.4635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126534  Sterimol/B1: 3.07536  Sterimol/B2: 3.46327  Sterimol/B3: 3.79867
  Sterimol/B4: 4.2622  Sterimol/L: 10.072 
 
 Surface and Volume Properties
  Accessible surface: 327.226  Positive charged surface: 209.254  Negative charged surface: 117.972  Volume: 142.25
  Hydrophobic surface: 168.484  Hydrophilic surface: 158.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03027696
PUBCHEM-ZINC03631470