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PUBCHEM-ZINC01531088

 MMsINC code: MMs02813423
Type: Neutral
Formula: C4H8S2
SMILES:   S(SC)CC=C
InChI:   InChI=1/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.08431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -2.18245  SlogP: 2.1836  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0632757  Sterimol/B1: 2.41059  Sterimol/B2: 2.96018  Sterimol/B3: 3.29994
  Sterimol/B4: 3.6186  Sterimol/L: 10.1979 
 
 Surface and Volume Properties
  Accessible surface: 297.093  Positive charged surface: 144.485  Negative charged surface: 152.608  Volume: 119.625
  Hydrophobic surface: 160.551  Hydrophilic surface: 136.542
 
 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.