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PUBCHEM-ZINC02810255

 MMsINC code: MMs02931462
Type: Neutral
Formula: C8H16O3S2
SMILES:   S(=O)(=O)(CCCC)CCSC(=O)C
InChI:   InChI=1/C8H16O3S2/c1-3-4-6-13(10,11)7-5-12-8(2)9/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.52937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.345 g/mol  logS: -2.13246  SlogP: 1.481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286618  Sterimol/B1: 2.98114  Sterimol/B2: 3.03552  Sterimol/B3: 3.03665
  Sterimol/B4: 3.25954  Sterimol/L: 16.3779 
 
 Surface and Volume Properties
  Accessible surface: 452.559  Positive charged surface: 270.766  Negative charged surface: 181.792  Volume: 204.25
  Hydrophobic surface: 300.345  Hydrophilic surface: 152.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.