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PUBCHEM-ZINC05962388

 MMsINC code: MMs03462655
Type: Neutral
Formula: C3H8S4
SMILES:   S(S)C(SS)(C)C
InChI:   InChI=1/C3H8S4/c1-3(2,6-4)7-5/h4-5H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.1677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.361 g/mol  logS: -4.48544  SlogP: 2.8785  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.190023  Sterimol/B1: 2.11477  Sterimol/B2: 2.37503  Sterimol/B3: 4.11571
  Sterimol/B4: 4.8742  Sterimol/L: 10.8321 
 
 Surface and Volume Properties
  Accessible surface: 322.303  Positive charged surface: 130.469  Negative charged surface: 191.834  Volume: 144.125
  Hydrophobic surface: 216.899  Hydrophilic surface: 105.404
 
 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.