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ENAMINE-ZINC03296911

 MMsINC code: MMs01356430
Type: Neutral
Formula: C9H9FNS+
SMILES:   s1c2c([n+](C)c1CF)cccc2
InChI:   InChI=1/C9H9FNS/c1-11-7-4-2-3-5-8(7)12-9(11)6-10/h2-5H,6H2,1H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.9191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.242 g/mol  logS: -2.06868  SlogP: 2.8209  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0306247  Sterimol/B1: 2.19853  Sterimol/B2: 2.21412  Sterimol/B3: 2.77127
  Sterimol/B4: 5.94919  Sterimol/L: 10.7584 
 
 Surface and Volume Properties
  Accessible surface: 352.092  Positive charged surface: 203.902  Negative charged surface: 148.19  Volume: 165.875
  Hydrophobic surface: 272.896  Hydrophilic surface: 79.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.