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PUBCHEM-ZINC06037899

 MMsINC code: MMs03507975
Type: Neutral
Formula: C5H10OS
SMILES:   S1C(COC1C)C
InChI:   InChI=1/C5H10OS/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.3798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.2 g/mol  logS: -1.40905  SlogP: 1.4843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133934  Sterimol/B1: 2.76452  Sterimol/B2: 2.89463  Sterimol/B3: 3.3244
  Sterimol/B4: 4.10743  Sterimol/L: 9.59914 
 
 Surface and Volume Properties
  Accessible surface: 294.004  Positive charged surface: 202.893  Negative charged surface: 91.1107  Volume: 119
  Hydrophobic surface: 200.306  Hydrophilic surface: 93.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.