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PUBCHEM-ZINC01845619

 MMsINC code: MMs02823826
Type: Neutral
Formula: C4H8S2
SMILES:   S(C(=S)C)CC
InChI:   InChI=1/C4H8S2/c1-3-6-4(2)5/h3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -2.55758  SlogP: 2.0868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601306  Sterimol/B1: 2.37512  Sterimol/B2: 2.51285  Sterimol/B3: 2.64839
  Sterimol/B4: 4.6256  Sterimol/L: 9.88598 
 
 Surface and Volume Properties
  Accessible surface: 298.166  Positive charged surface: 156.852  Negative charged surface: 141.314  Volume: 116.75
  Hydrophobic surface: 173.795  Hydrophilic surface: 124.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.