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ACROSORGANICS-ZINC00164438

 MMsINC code: MMs00006147
Type: Neutral
Formula: C7H8FN
SMILES:   Fc1cc(N)c(cc1)C
InChI:   InChI=1/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.4288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.146 g/mol  logS: -1.56121  SlogP: 1.71632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277256  Sterimol/B1: 2.1015  Sterimol/B2: 2.51212  Sterimol/B3: 3.06964
  Sterimol/B4: 4.98564  Sterimol/L: 8.98575 
 
 Surface and Volume Properties
  Accessible surface: 296.416  Positive charged surface: 167.549  Negative charged surface: 128.867  Volume: 124
  Hydrophobic surface: 245.004  Hydrophilic surface: 51.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.