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PUBCHEM-ZINC05178443

 MMsINC code: MMs03220875
Type: Neutral
Formula: C3H8S3
SMILES:   SC(CS)CS
InChI:   InChI=1/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.4093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.295 g/mol  logS: -2.55592  SlogP: 1.1444  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.145693  Sterimol/B1: 2.51659  Sterimol/B2: 2.57541  Sterimol/B3: 3.23229
  Sterimol/B4: 4.51669  Sterimol/L: 10.0827 
 
 Surface and Volume Properties
  Accessible surface: 303.3  Positive charged surface: 164.888  Negative charged surface: 138.412  Volume: 124
  Hydrophobic surface: 164.888  Hydrophilic surface: 138.412
 
 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.