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TOSLAB-ZINC04477387

 MMsINC code: MMs03948700
Type: Neutral
Formula: C10H9F3N6
SMILES:   FC(F)(F)c1ccccc1NN=C1C(NNC1=N)=N
InChI:   InChI=1/C10H9F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,16H,(H4,14,15,17,18,19)

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Potential Energy
Epot(MMFF94)=132.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.218 g/mol  logS: -3.60178  SlogP: 1.84714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160778  Sterimol/B1: 2.20226  Sterimol/B2: 3.06176  Sterimol/B3: 3.46901
  Sterimol/B4: 5.45148  Sterimol/L: 13.2185 
 
 Surface and Volume Properties
  Accessible surface: 429.639  Positive charged surface: 202.354  Negative charged surface: 227.285  Volume: 213.375
  Hydrophobic surface: 146.167  Hydrophilic surface: 283.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 3  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.