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CHEMBLOCK-ZINC00140795

 MMsINC code: MMs00501549
Type: Neutral
Formula: C7H8F3N3
SMILES:   FC(F)(F)c1nc(nc(c1)C)NC
InChI:   InChI=1/C7H8F3N3/c1-4-3-5(7(8,9)10)13-6(11-2)12-4/h3H,1-2H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=14.2663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.156 g/mol  logS: -2.2088  SlogP: 2.15702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05222  Sterimol/B1: 1.969  Sterimol/B2: 2.51205  Sterimol/B3: 2.81565
  Sterimol/B4: 7.14958  Sterimol/L: 10.8742 
 
 Surface and Volume Properties
  Accessible surface: 366.974  Positive charged surface: 212.846  Negative charged surface: 154.127  Volume: 155.5
  Hydrophobic surface: 207.733  Hydrophilic surface: 159.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.