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ALFAAESAR-ZINC01850677

 MMsINC code: MMs00022279
Type: Neutral
Formula: C6H8OS
SMILES:   S(C)c1oc(cc1)C
InChI:   InChI=1/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.49064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.195 g/mol  logS: -2.62958  SlogP: 2.30992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375346  Sterimol/B1: 2.36541  Sterimol/B2: 2.37571  Sterimol/B3: 2.51203
  Sterimol/B4: 5.60029  Sterimol/L: 10.3554 
 
 Surface and Volume Properties
  Accessible surface: 317.592  Positive charged surface: 170.086  Negative charged surface: 147.507  Volume: 128
  Hydrophobic surface: 270.658  Hydrophilic surface: 46.934
 
 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.