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PUBCHEM-ZINC01476169

 MMsINC code: MMs02811634
Type: Neutral
Formula: C8H17NO2S
SMILES:   S(=O)(=O)(N1CCCCC1CC)C
InChI:   InChI=1/C8H17NO2S/c1-3-8-6-4-5-7-9(8)12(2,10)11/h8H,3-7H2,1-2H3/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.295 g/mol  logS: -0.75771  SlogP: 1.2105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29053  Sterimol/B1: 2.77847  Sterimol/B2: 3.16452  Sterimol/B3: 3.19007
  Sterimol/B4: 6.22315  Sterimol/L: 10.1872 
 
 Surface and Volume Properties
  Accessible surface: 367.716  Positive charged surface: 247.363  Negative charged surface: 120.353  Volume: 181.75
  Hydrophobic surface: 285.464  Hydrophilic surface: 82.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.