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APOLLO-ZINC00109608

 MMsINC code: MMs00042837
Type: Neutral
Formula: C11H10OS
SMILES:   s1cccc1-c1ccc(OC)cc1
InChI:   InChI=1/C11H10OS/c1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.5354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.266 g/mol  logS: -3.48419  SlogP: 3.4237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00691426  Sterimol/B1: 2.3748  Sterimol/B2: 2.3753  Sterimol/B3: 2.91114
  Sterimol/B4: 4.68633  Sterimol/L: 13.9199 
 
 Surface and Volume Properties
  Accessible surface: 393.568  Positive charged surface: 209.324  Negative charged surface: 184.245  Volume: 188.125
  Hydrophobic surface: 382.786  Hydrophilic surface: 10.782
 
 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.