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ACROSORGANICS-ZINC02022414

 MMsINC code: MMs00012415
Type: Neutral
Formula: C6H2F5N
SMILES:   Fc1c(N)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.079 g/mol  logS: -2.58066  SlogP: 1.9643  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.44027e-06  Sterimol/B1: 2.097  Sterimol/B2: 2.10139  Sterimol/B3: 3.86918
  Sterimol/B4: 3.86943  Sterimol/L: 8.9651 
 
 Surface and Volume Properties
  Accessible surface: 286.952  Positive charged surface: 115.712  Negative charged surface: 171.241  Volume: 117.5
  Hydrophobic surface: 231.047  Hydrophilic surface: 55.905
 
 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.