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ENAMINE-ZINC06650635

 MMsINC code: MMs01691483
Type: Neutral
Formula: C10H9F3N3+
SMILES:   FC(F)(F)c1cc(N)c(-n2cc[nH+]c2)cc1
InChI:   InChI=1/C10H8F3N3/c11-10(12,13)7-1-2-9(8(14)5-7)16-4-3-15-6-16/h1-6H,14H2/p+1

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Potential Energy
Epot(MMFF94)=70.1747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.197 g/mol  logS: -2.46001  SlogP: 2.2039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380693  Sterimol/B1: 2.43106  Sterimol/B2: 2.46839  Sterimol/B3: 2.74813
  Sterimol/B4: 5.82249  Sterimol/L: 12.4041 
 
 Surface and Volume Properties
  Accessible surface: 404.534  Positive charged surface: 247.006  Negative charged surface: 157.528  Volume: 190
  Hydrophobic surface: 151.608  Hydrophilic surface: 252.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs01691484
ENAMINE-ZINC06650635