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ACROSORGANICS-ZINC00161604

MMsINC code: MMs00005970

Type: Neutral
Formula: C7H9FN+
SMILES:   Fc1ccccc1C[NH3+]
InChI:   InChI=1/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2/p+1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=9.60897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.154 g/mol  logS: -1.32039  SlogP: 0.834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623474  Sterimol/B1: 2.59668  Sterimol/B2: 2.83246  Sterimol/B3: 3.06269
  Sterimol/B4: 4.87656  Sterimol/L: 9.91769 
 
 Surface and Volume Properties
  Accessible surface: 304.01  Positive charged surface: 204.11  Negative charged surface: 99.9001  Volume: 125.375
  Hydrophobic surface: 229.659  Hydrophilic surface: 74.351
 
 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


MMs00005971
ACROSORGANICS-ZINC00161604