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PUBCHEM-ZINC04087234

 MMsINC code: MMs03089155
Type: Neutral
Formula: C5H10OS
SMILES:   S1CCC(O)CC1
InChI:   InChI=1/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.52532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.2 g/mol  logS: -0.93226  SlogP: 0.8743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273003  Sterimol/B1: 2.60113  Sterimol/B2: 3.05141  Sterimol/B3: 3.1603
  Sterimol/B4: 4.90829  Sterimol/L: 8.05571 
 
 Surface and Volume Properties
  Accessible surface: 279.256  Positive charged surface: 202.477  Negative charged surface: 76.7794  Volume: 115.875
  Hydrophobic surface: 186.696  Hydrophilic surface: 92.56
 
 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.