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PUBCHEM-ZINC06891195

 MMsINC code: MMs03891992
Type: Neutral
Formula: C6H15S+
SMILES:   [SH+](CCC)CCC
InChI:   InChI=1/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.73525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 119.252 g/mol  logS: -1.50658  SlogP: 1.6213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541066  Sterimol/B1: 2.33077  Sterimol/B2: 2.51181  Sterimol/B3: 2.7705
  Sterimol/B4: 3.33782  Sterimol/L: 12.6463 
 
 Surface and Volume Properties
  Accessible surface: 343.067  Positive charged surface: 259.341  Negative charged surface: 83.7259  Volume: 143.25
  Hydrophobic surface: 276.334  Hydrophilic surface: 66.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.