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ACROSORGANICS-ZINC01845698

 MMsINC code: MMs00012013
Type: Neutral
Formula: C7F5N
SMILES:   Fc1c(C#N)c(F)c(F)c(F)c1F
InChI:   InChI=1/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

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Potential Energy
Epot(MMFF94)=13.0701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.074 g/mol  logS: -3.21071  SlogP: 2.25378  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.63305e-06  Sterimol/B1: 2.09723  Sterimol/B2: 2.10265  Sterimol/B3: 3.87804
  Sterimol/B4: 3.87952  Sterimol/L: 10.1357 
 
 Surface and Volume Properties
  Accessible surface: 303.386  Positive charged surface: 91.1975  Negative charged surface: 212.188  Volume: 127.625
  Hydrophobic surface: 229.08  Hydrophilic surface: 74.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.