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CHEMBLOCK-ZINC04480463

 MMsINC code: MMs00553131
Type: Neutral
Formula: C14H17F6N3O
SMILES:   FC(F)(F)C(Nc1nc(ccc1)C)(NC(=O)CC(C)C)C(F)(F)F
InChI:   InChI=1/C14H17F6N3O/c1-8(2)7-11(24)23-12(13(15,16)17,14(18,19)20)22-10-6-4-5-9(3)21-10/h4-6,8H,7H2,1-3H3,(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=116.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.298 g/mol  logS: -4.18193  SlogP: 4.62492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233317  Sterimol/B1: 2.22525  Sterimol/B2: 2.32751  Sterimol/B3: 5.39073
  Sterimol/B4: 8.12111  Sterimol/L: 12.3769 
 
 Surface and Volume Properties
  Accessible surface: 526.946  Positive charged surface: 269.556  Negative charged surface: 257.39  Volume: 283.125
  Hydrophobic surface: 293.325  Hydrophilic surface: 233.621
 
 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: no related molecules available.