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MAYBRIDGE-ZINC00170835

 MMsINC code: MMs02146031
Type: Neutral
Formula: C10H8F3N3
SMILES:   FC(F)(F)c1cc(ccc1)-c1n[nH]c(N)c1
InChI:   InChI=1/C10H8F3N3/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)

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Potential Energy
Epot(MMFF94)=55.8559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.189 g/mol  logS: -3.30479  SlogP: 2.9892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117468  Sterimol/B1: 2.10161  Sterimol/B2: 2.54168  Sterimol/B3: 2.91243
  Sterimol/B4: 5.94865  Sterimol/L: 13.0816 
 
 Surface and Volume Properties
  Accessible surface: 400.528  Positive charged surface: 174.489  Negative charged surface: 226.039  Volume: 184.5
  Hydrophobic surface: 169.496  Hydrophilic surface: 231.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.