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ENAMINE-ZINC03227264

 MMsINC code: MMs01316938
Type: Neutral
Formula: C8H6FNS
SMILES:   s1c2c(nc1CF)cccc2
InChI:   InChI=1/C8H6FNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.0091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.207 g/mol  logS: -2.19906  SlogP: 3.0322  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0199147  Sterimol/B1: 2.22301  Sterimol/B2: 2.74149  Sterimol/B3: 3.08128
  Sterimol/B4: 4.77891  Sterimol/L: 10.6899 
 
 Surface and Volume Properties
  Accessible surface: 336.951  Positive charged surface: 164.765  Negative charged surface: 172.186  Volume: 146
  Hydrophobic surface: 259.368  Hydrophilic surface: 77.583
 
 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.