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ACROSORGANICS-ZINC04262399

 MMsINC code: MMs00017484
Type: Neutral
Formula: C8H18S2
SMILES:   SCCCCCCCCS
InChI:   InChI=1/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.25881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.364 g/mol  logS: -3.40498  SlogP: 3.1866  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0352576  Sterimol/B1: 2.37499  Sterimol/B2: 2.37608  Sterimol/B3: 2.49961
  Sterimol/B4: 3.41979  Sterimol/L: 16.3394 
 
 Surface and Volume Properties
  Accessible surface: 432.793  Positive charged surface: 300.707  Negative charged surface: 132.085  Volume: 194.875
  Hydrophobic surface: 322.693  Hydrophilic surface: 110.1
 
 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.