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ALFAAESAR-ZINC02169138

 MMsINC code: MMs00022784
Type: Neutral
Formula: C11H5F6N
SMILES:   FC(F)(F)c1cc(cc(c1)\C=C\C#N)C(F)(F)F
InChI:   InChI=1/C11H5F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h1-2,4-6H/b2-1+

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Potential Energy
Epot(MMFF94)=59.7156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.156 g/mol  logS: -4.35473  SlogP: 4.88398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362797  Sterimol/B1: 2.63762  Sterimol/B2: 2.63871  Sterimol/B3: 3.36515
  Sterimol/B4: 6.42351  Sterimol/L: 12.5448 
 
 Surface and Volume Properties
  Accessible surface: 416.488  Positive charged surface: 96.0773  Negative charged surface: 320.411  Volume: 194.125
  Hydrophobic surface: 124.92  Hydrophilic surface: 291.568
 
 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.