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ALFAAESAR-ZINC01555231

 MMsINC code: MMs00021276
Type: Neutral
Formula: C6H14S
SMILES:   S(CCCC)CC
InChI:   InChI=1/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.81769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.244 g/mol  logS: -1.95383  SlogP: 2.5396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496607  Sterimol/B1: 2.37552  Sterimol/B2: 2.37601  Sterimol/B3: 2.61772
  Sterimol/B4: 2.93192  Sterimol/L: 12.6046 
 
 Surface and Volume Properties
  Accessible surface: 343.027  Positive charged surface: 256.906  Negative charged surface: 86.1213  Volume: 141
  Hydrophobic surface: 265.612  Hydrophilic surface: 77.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.