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NCID-ZINC01616948

 MMsINC code: MMs02266261
Type: Neutral
Formula: C8H3F3N2O6
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c(C(O)=O)c([N+](=O)[O-])c1
InChI:   InChI=1/C8H3F3N2O6/c9-8(10,11)3-1-4(12(16)17)6(7(14)15)5(2-3)13(18)19/h1-2H,(H,14,15)

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Potential Energy
Epot(MMFF94)=65.5319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.114 g/mol  logS: -3.99129  SlogP: 2.5315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502646  Sterimol/B1: 2.75801  Sterimol/B2: 2.98045  Sterimol/B3: 4.15431
  Sterimol/B4: 6.55466  Sterimol/L: 10.7618 
 
 Surface and Volume Properties
  Accessible surface: 390.332  Positive charged surface: 85.8149  Negative charged surface: 304.517  Volume: 176.625
  Hydrophobic surface: 69.9903  Hydrophilic surface: 320.3417
 
 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


MMs02266262
NCID-ZINC01616948