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PUBCHEM-ZINC05134387

 MMsINC code: MMs03209342
Type: Neutral
Formula: C3H6S3
SMILES:   S1SSCCC1
InChI:   InChI=1/C3H6S3/c1-2-4-6-5-3-1/h1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.47718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.279 g/mol  logS: -3.14063  SlogP: 2.4197  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.322856  Sterimol/B1: 2.55946  Sterimol/B2: 2.55997  Sterimol/B3: 3.16469
  Sterimol/B4: 5.53257  Sterimol/L: 7.56789 
 
 Surface and Volume Properties
  Accessible surface: 270.56  Positive charged surface: 123.777  Negative charged surface: 99.4256  Volume: 112.375
  Hydrophobic surface: 179.738  Hydrophilic surface: 90.822
 
 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.