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PUBCHEM-ZINC06567508

 MMsINC code: MMs03801492
Type: Neutral
Formula: C7H4FNOS
SMILES:   S1NC(=O)c2cc(F)ccc12
InChI:   InChI=1/C7H4FNOS/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.179 g/mol  logS: -3.10815  SlogP: 1.5762  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.5115e-07  Sterimol/B1: 2.18404  Sterimol/B2: 2.18596  Sterimol/B3: 3.48838
  Sterimol/B4: 4.36855  Sterimol/L: 9.65772 
 
 Surface and Volume Properties
  Accessible surface: 309.893  Positive charged surface: 130.072  Negative charged surface: 179.821  Volume: 133.5
  Hydrophobic surface: 224.963  Hydrophilic surface: 84.93
 
 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.