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ALFAAESAR-ZINC00404004

 MMsINC code: MMs00021016
Type: Neutral
Formula: C7H7FS
SMILES:   SCc1ccc(F)cc1
InChI:   InChI=1/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.197 g/mol  logS: -2.64188  SlogP: 2.5219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0642292  Sterimol/B1: 2.30794  Sterimol/B2: 2.42187  Sterimol/B3: 3.5399
  Sterimol/B4: 4.81777  Sterimol/L: 10.5014 
 
 Surface and Volume Properties
  Accessible surface: 312.542  Positive charged surface: 158.544  Negative charged surface: 153.998  Volume: 132.75
  Hydrophobic surface: 252.445  Hydrophilic surface: 60.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.