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ACROSORGANICS-ZINC03860245

 MMsINC code: MMs00015315
Type: Neutral
Formula: C4H10S2
SMILES:   SCCCCS
InChI:   InChI=1/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.9393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -1.971  SlogP: 1.6262  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0752204  Sterimol/B1: 2.37498  Sterimol/B2: 2.37592  Sterimol/B3: 2.53059
  Sterimol/B4: 3.49632  Sterimol/L: 11.3509 
 
 Surface and Volume Properties
  Accessible surface: 311.937  Positive charged surface: 194.508  Negative charged surface: 117.428  Volume: 123.5
  Hydrophobic surface: 201.837  Hydrophilic surface: 110.1
 
 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.