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APOLLO-ZINC00167314

 MMsINC code: MMs00048272
Type: Neutral
Formula: C15H8F2N2
SMILES:   Fc1cccc(C(C#N)c2ccc(F)cc2)c1C#N
InChI:   InChI=1/C15H8F2N2/c16-11-6-4-10(5-7-11)13(8-18)12-2-1-3-15(17)14(12)9-19/h1-7,13H/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=66.3202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.239 g/mol  logS: -4.38063  SlogP: 3.49197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208461  Sterimol/B1: 2.55154  Sterimol/B2: 2.70793  Sterimol/B3: 5.89826
  Sterimol/B4: 7.21589  Sterimol/L: 11.9261 
 
 Surface and Volume Properties
  Accessible surface: 445.953  Positive charged surface: 182.19  Negative charged surface: 263.763  Volume: 230.625
  Hydrophobic surface: 317.34  Hydrophilic surface: 128.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.