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TYGER-ZINC01442871

 MMsINC code: MMs03950198
Type: Neutral
Formula: C7H4F4N2
SMILES:   Fc1c(F)c(cc(F)c1F)C(N)=N
InChI:   InChI=1/C7H4F4N2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H3,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.115 g/mol  logS: -3.01768  SlogP: 1.52707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0008663  Sterimol/B1: 2.097  Sterimol/B2: 2.16843  Sterimol/B3: 2.89269
  Sterimol/B4: 5.13703  Sterimol/L: 10.1557 
 
 Surface and Volume Properties
  Accessible surface: 317.197  Positive charged surface: 136.775  Negative charged surface: 180.422  Volume: 136.75
  Hydrophobic surface: 204.239  Hydrophilic surface: 112.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03950199
TYGER-ZINC01442871