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ALFAAESAR-ZINC04362803

 MMsINC code: MMs00024777
Type: Neutral
Formula: C10H22S2
SMILES:   SCCCCCCCCCCS
InChI:   InChI=1/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.10069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.418 g/mol  logS: -4.43542  SlogP: 3.9668  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.025603  Sterimol/B1: 2.37496  Sterimol/B2: 2.37579  Sterimol/B3: 2.50791
  Sterimol/B4: 3.36611  Sterimol/L: 18.8355 
 
 Surface and Volume Properties
  Accessible surface: 492.656  Positive charged surface: 354.42  Negative charged surface: 138.236  Volume: 230.125
  Hydrophobic surface: 383.733  Hydrophilic surface: 108.923
 
 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.