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PUBCHEM-ZINC05762408

 MMsINC code: MMs03375773
Type: Neutral
Formula: C5H10S3
SMILES:   S1SSCC(C1)(C)C
InChI:   InChI=1/C5H10S3/c1-5(2)3-6-8-7-4-5/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.3046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.333 g/mol  logS: -3.54417  SlogP: 3.0558  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.593987  Sterimol/B1: 1.969  Sterimol/B2: 3.78292  Sterimol/B3: 3.78487
  Sterimol/B4: 4.65976  Sterimol/L: 9.01512 
 
 Surface and Volume Properties
  Accessible surface: 308.996  Positive charged surface: 150.175  Negative charged surface: 111.714  Volume: 146.25
  Hydrophobic surface: 197.282  Hydrophilic surface: 111.714
 
 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.