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NCID-ZINC01732376

 MMsINC code: MMs02355144
Type: Neutral
Formula: C8H19NO2S
SMILES:   S(=O)(=O)(N(CCC)CCC)CC
InChI:   InChI=1/C8H19NO2S/c1-4-7-9(8-5-2)12(10,11)6-3/h4-8H2,1-3H3

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Potential Energy
Epot(MMFF94)=-4.48011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.311 g/mol  logS: -0.85975  SlogP: 1.4581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152888  Sterimol/B1: 1.9833  Sterimol/B2: 2.79102  Sterimol/B3: 3.93594
  Sterimol/B4: 8.34921  Sterimol/L: 11.4945 
 
 Surface and Volume Properties
  Accessible surface: 412.153  Positive charged surface: 280.256  Negative charged surface: 131.897  Volume: 199.5
  Hydrophobic surface: 292.746  Hydrophilic surface: 119.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.