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PUBCHEM-ZINC05821630

 MMsINC code: MMs03400674
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(N1CCCCCC1)CCCC
InChI:   InChI=1/C10H21NO2S/c1-2-3-10-14(12,13)11-8-6-4-5-7-9-11/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.5603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.4747  SlogP: 1.9923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078048  Sterimol/B1: 3.22162  Sterimol/B2: 3.51023  Sterimol/B3: 3.79509
  Sterimol/B4: 4.08374  Sterimol/L: 14.243 
 
 Surface and Volume Properties
  Accessible surface: 432.387  Positive charged surface: 318.439  Negative charged surface: 113.948  Volume: 220
  Hydrophobic surface: 364.166  Hydrophilic surface: 68.221
 
 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.