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IFLAB-ZINC00086929

 MMsINC code: MMs01973518
Type: Neutral
Formula: C8H4F4N2
SMILES:   Fc1c(F)c(F)c2[nH]c(nc2c1F)C
InChI:   InChI=1/C8H4F4N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=21.5707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.126 g/mol  logS: -2.97679  SlogP: 2.42772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141899  Sterimol/B1: 2.09799  Sterimol/B2: 2.51207  Sterimol/B3: 4.06907
  Sterimol/B4: 4.41266  Sterimol/L: 10.6442 
 
 Surface and Volume Properties
  Accessible surface: 341.314  Positive charged surface: 156.944  Negative charged surface: 184.37  Volume: 146.125
  Hydrophobic surface: 295.179  Hydrophilic surface: 46.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01973519
IFLAB-ZINC00086929