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ACROSORGANICS-ZINC00403157

 MMsINC code: MMs00007588
Type: Neutral
Formula: C7H7FS
SMILES:   S(C)c1ccc(F)cc1
InChI:   InChI=1/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.197 g/mol  logS: -2.70126  SlogP: 2.5476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198309  Sterimol/B1: 2.37479  Sterimol/B2: 2.3752  Sterimol/B3: 3.9455
  Sterimol/B4: 3.94618  Sterimol/L: 10.4238 
 
 Surface and Volume Properties
  Accessible surface: 309.359  Positive charged surface: 140.835  Negative charged surface: 168.524  Volume: 131.25
  Hydrophobic surface: 266.467  Hydrophilic surface: 42.892
 
 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.