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PUBCHEM-ZINC04501370

 MMsINC code: MMs03126331
Type: Neutral
Formula: C4H10OS
SMILES:   SCCCCO
InChI:   InChI=1/C4H10OS/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)=4.69387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.189 g/mol  logS: -0.78  SlogP: 0.6887  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0810142  Sterimol/B1: 2.11251  Sterimol/B2: 2.37495  Sterimol/B3: 2.37576
  Sterimol/B4: 3.52032  Sterimol/L: 10.8521 
 
 Surface and Volume Properties
  Accessible surface: 293.913  Positive charged surface: 209.104  Negative charged surface: 84.8096  Volume: 111.25
  Hydrophobic surface: 184.956  Hydrophilic surface: 108.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.