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ALFAAESAR-ZINC01606268

 MMsINC code: MMs00021492
Type: Neutral
Formula: C5H10OS
SMILES:   S(C(=O)CC)CC
InChI:   InChI=1/C5H10OS/c1-3-5(6)7-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.25753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.2 g/mol  logS: -1.50607  SlogP: 1.6761  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0511359  Sterimol/B1: 2.3748  Sterimol/B2: 2.37575  Sterimol/B3: 2.60929
  Sterimol/B4: 3.45456  Sterimol/L: 11.2031 
 
 Surface and Volume Properties
  Accessible surface: 309.17  Positive charged surface: 204.599  Negative charged surface: 104.571  Volume: 123.125
  Hydrophobic surface: 201.773  Hydrophilic surface: 107.397
 
 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.