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PUBCHEM-ZINC02015158

 MMsINC code: MMs02851579
Type: Neutral
Formula: C8H10OS
SMILES:   S(C)c1ccc(cc1O)C
InChI:   InChI=1/C8H10OS/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.233 g/mol  logS: -2.51825  SlogP: 2.42252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300344  Sterimol/B1: 2.38834  Sterimol/B2: 2.50071  Sterimol/B3: 3.03294
  Sterimol/B4: 5.29634  Sterimol/L: 11.3308 
 
 Surface and Volume Properties
  Accessible surface: 344.871  Positive charged surface: 192.565  Negative charged surface: 152.306  Volume: 153.75
  Hydrophobic surface: 260.868  Hydrophilic surface: 84.003
 
 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.