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PUBCHEM-ZINC06115976

 MMsINC code: MMs03544857
Type: Neutral
Formula: C15H16OS
SMILES:   S(CCCOc1ccccc1)c1ccccc1
InChI:   InChI=1/C15H16OS/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.358 g/mol  logS: -4.45277  SlogP: 4.2478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00735471  Sterimol/B1: 2.3743  Sterimol/B2: 2.37678  Sterimol/B3: 3.23172
  Sterimol/B4: 4.8586  Sterimol/L: 17.3604 
 
 Surface and Volume Properties
  Accessible surface: 510.363  Positive charged surface: 286.652  Negative charged surface: 223.711  Volume: 251.75
  Hydrophobic surface: 469.664  Hydrophilic surface: 40.699
 
 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.