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ALFAAESAR-ZINC04773357

 MMsINC code: MMs00024997
Type: Neutral
Formula: C6H15S+
SMILES:   [S+](CC)(CC)CC
InChI:   InChI=1/C6H15S/c1-4-7(5-2)6-3/h4-6H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.95052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 119.252 g/mol  logS: -1.43367  SlogP: 1.6644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197297  Sterimol/B1: 2.56461  Sterimol/B2: 2.96491  Sterimol/B3: 3.13395
  Sterimol/B4: 4.94134  Sterimol/L: 10.1038 
 
 Surface and Volume Properties
  Accessible surface: 317.943  Positive charged surface: 234.76  Negative charged surface: 83.1831  Volume: 140.5
  Hydrophobic surface: 239.619  Hydrophilic surface: 78.324
 
 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.