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APOLLO-ZINC02525235

 MMsINC code: MMs00052658
Type: Neutral
Formula: C7H6F4N2
SMILES:   Fc1cc(N)c(N)cc1C(F)(F)F
InChI:   InChI=1/C7H6F4N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.131 g/mol  logS: -2.17817  SlogP: 2.3204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282274  Sterimol/B1: 2.63793  Sterimol/B2: 2.63922  Sterimol/B3: 2.98827
  Sterimol/B4: 5.15099  Sterimol/L: 9.59962 
 
 Surface and Volume Properties
  Accessible surface: 328.303  Positive charged surface: 143.177  Negative charged surface: 185.126  Volume: 141.375
  Hydrophobic surface: 120.465  Hydrophilic surface: 207.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.