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APOLLO-ZINC00409340

 MMsINC code: MMs00048852
Type: Neutral
Formula: C8H6FNS
SMILES:   s1c2c(nc1C)cc(F)cc2
InChI:   InChI=1/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.7356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.207 g/mol  logS: -2.35726  SlogP: 2.74382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139274  Sterimol/B1: 2.19075  Sterimol/B2: 2.51189  Sterimol/B3: 3.82183
  Sterimol/B4: 4.04847  Sterimol/L: 10.6754 
 
 Surface and Volume Properties
  Accessible surface: 334.791  Positive charged surface: 161.765  Negative charged surface: 173.026  Volume: 145.875
  Hydrophobic surface: 311.766  Hydrophilic surface: 23.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.