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PUBCHEM-ZINC06200214

 MMsINC code: MMs03607639
Type: Neutral
Formula: C4H12S2+2
SMILES:   [SH+](CC[SH+]C)C
InChI:   InChI=1/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.272 g/mol  logS: -1.3067  SlogP: -0.1242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06929  Sterimol/B1: 2.37561  Sterimol/B2: 2.56036  Sterimol/B3: 2.67721
  Sterimol/B4: 2.84421  Sterimol/L: 11.7247 
 
 Surface and Volume Properties
  Accessible surface: 324.653  Positive charged surface: 223.106  Negative charged surface: 101.547  Volume: 127.875
  Hydrophobic surface: 225.166  Hydrophilic surface: 99.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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.