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PUBCHEM-ZINC05889228

 MMsINC code: MMs03430817
Type: Neutral
Formula: C2H6OS3
SMILES:   SC(O)C(S)S
InChI:   InChI=1/C2H6OS3/c3-1(4)2(5)6/h1-6H/t1-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.8224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.267 g/mol  logS: -2.11484  SlogP: 0.4203  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175286  Sterimol/B1: 2.53708  Sterimol/B2: 3.18055  Sterimol/B3: 3.23855
  Sterimol/B4: 3.87091  Sterimol/L: 8.65663 
 
 Surface and Volume Properties
  Accessible surface: 285.702  Positive charged surface: 127.667  Negative charged surface: 158.035  Volume: 110.875
  Hydrophobic surface: 101.689  Hydrophilic surface: 184.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.