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APOLLO-ZINC02244168

 MMsINC code: MMs00051430
Type: Neutral
Formula: C6H6OS
SMILES:   Sc1cc(O)ccc1
InChI:   InChI=1/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.179 g/mol  logS: -2.04091  SlogP: 1.6809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401019  Sterimol/B1: 2.19315  Sterimol/B2: 2.5495  Sterimol/B3: 2.57766
  Sterimol/B4: 5.28628  Sterimol/L: 9.05134 
 
 Surface and Volume Properties
  Accessible surface: 292.528  Positive charged surface: 148.955  Negative charged surface: 143.573  Volume: 116.875
  Hydrophobic surface: 189.14  Hydrophilic surface: 103.388
 
 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.