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PUBCHEM-ZINC01444968

 MMsINC code: MMs02806311
Type: Neutral
Formula: C8H6F4N4
SMILES:   Fc1c(C(N)=N)c(F)c(F)c(F)c1C(N)=N
InChI:   InChI=1/C8H6F4N4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H3,13,14)(H3,15,16)

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Potential Energy
Epot(MMFF94)=22.0578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.156 g/mol  logS: -3.47056  SlogP: 0.81114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182836  Sterimol/B1: 3.40397  Sterimol/B2: 3.54682  Sterimol/B3: 3.65471
  Sterimol/B4: 4.93579  Sterimol/L: 10.6711 
 
 Surface and Volume Properties
  Accessible surface: 388.853  Positive charged surface: 197.164  Negative charged surface: 191.689  Volume: 170.125
  Hydrophobic surface: 154.496  Hydrophilic surface: 234.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02806312
PUBCHEM-ZINC01444968