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CHEMBLOCK-ZINC01428993

 MMsINC code: MMs00522719
Type: Neutral
Formula: C18H16F3N5O
SMILES:   FC(F)(F)c1cc(ccc1)-c1nn(nn1)CC(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C18H16F3N5O/c1-2-12-6-8-15(9-7-12)22-16(27)11-26-24-17(23-25-26)13-4-3-5-14(10-13)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,27)

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Potential Energy
Epot(MMFF94)=89.7366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.354 g/mol  logS: -5.95725  SlogP: 4.13787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538467  Sterimol/B1: 2.89302  Sterimol/B2: 3.66425  Sterimol/B3: 5.01924
  Sterimol/B4: 6.10608  Sterimol/L: 19.9856 
 
 Surface and Volume Properties
  Accessible surface: 636.19  Positive charged surface: 312.45  Negative charged surface: 323.74  Volume: 323.25
  Hydrophobic surface: 405.992  Hydrophilic surface: 230.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.