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APOLLO-ZINC04293890

 MMsINC code: MMs00058964
Type: Neutral
Formula: C6H14O4S4
SMILES:   S(SC)(=O)(=O)CCCCS(SC)(=O)=O
InChI:   InChI=1/C6H14O4S4/c1-11-13(7,8)5-3-4-6-14(9,10)12-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.15357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.438 g/mol  logS: -2.42402  SlogP: 1.1522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866253  Sterimol/B1: 2.16949  Sterimol/B2: 3.04866  Sterimol/B3: 4.18719
  Sterimol/B4: 4.75523  Sterimol/L: 14.9418 
 
 Surface and Volume Properties
  Accessible surface: 467.341  Positive charged surface: 198.407  Negative charged surface: 268.934  Volume: 217
  Hydrophobic surface: 257.486  Hydrophilic surface: 209.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.