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ACROSORGANICS-ZINC00167224

 MMsINC code: MMs00006420
Type: Neutral
Formula: C7H4FNS
SMILES:   S=C=Nc1ccc(F)cc1
InChI:   InChI=1/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.6105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.18 g/mol  logS: -2.86345  SlogP: 2.56  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.0868e-07  Sterimol/B1: 2.33085  Sterimol/B2: 2.33515  Sterimol/B3: 2.56218
  Sterimol/B4: 5.34042  Sterimol/L: 11.0625 
 
 Surface and Volume Properties
  Accessible surface: 311.702  Positive charged surface: 119.287  Negative charged surface: 192.415  Volume: 134.125
  Hydrophobic surface: 198.294  Hydrophilic surface: 113.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.