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NCID-ZINC01557882

 MMsINC code: MMs02220966
Type: Neutral
Formula: C7H8OS
SMILES:   S(OC)c1ccccc1
InChI:   InChI=1/C7H8OS/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.206 g/mol  logS: -2.66084  SlogP: 2.3401  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0350705  Sterimol/B1: 2.48033  Sterimol/B2: 3.41055  Sterimol/B3: 3.62368
  Sterimol/B4: 3.62467  Sterimol/L: 11.0102 
 
 Surface and Volume Properties
  Accessible surface: 332.689  Positive charged surface: 202.071  Negative charged surface: 130.618  Volume: 138.125
  Hydrophobic surface: 324.391  Hydrophilic surface: 8.298
 
 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.