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ALFAAESAR-ZINC01564467

 MMsINC code: MMs00021305
Type: Neutral
Formula: C7H4F5NO
SMILES:   Fc1c(CON)c(F)c(F)c(F)c1F
InChI:   InChI=1/C7H4F5NO/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10/h1,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.105 g/mol  logS: -3.0619  SlogP: 2.0388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591664  Sterimol/B1: 2.06134  Sterimol/B2: 3.27776  Sterimol/B3: 3.80431
  Sterimol/B4: 4.02708  Sterimol/L: 11.208 
 
 Surface and Volume Properties
  Accessible surface: 346.657  Positive charged surface: 153.098  Negative charged surface: 193.558  Volume: 143.875
  Hydrophobic surface: 264.403  Hydrophilic surface: 82.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.