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APOLLO-ZINC02382155

 MMsINC code: MMs00051764
Type: Neutral
Formula: C8H11FN+
SMILES:   Fc1ccc(cc1C)C[NH3+]
InChI:   InChI=1/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.181 g/mol  logS: -1.48086  SlogP: 1.14242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829878  Sterimol/B1: 2.49713  Sterimol/B2: 2.53893  Sterimol/B3: 2.75387
  Sterimol/B4: 5.79457  Sterimol/L: 10.067 
 
 Surface and Volume Properties
  Accessible surface: 337.438  Positive charged surface: 234.719  Negative charged surface: 102.719  Volume: 144.75
  Hydrophobic surface: 255.781  Hydrophilic surface: 81.657
 
 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


MMs00051765
APOLLO-ZINC02382155