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ASINEX-ZINC05005364

 MMsINC code: MMs00433706
Type: Neutral
Formula: C17H9F7N2O2
SMILES:   FC(F)(C(=O)Nc1c2c(nc3c1cccc3)cccc2)C(F)(F)OC(F)(F)F
InChI:   InChI=1/C17H9F7N2O2/c18-15(19,16(20,21)28-17(22,23)24)14(27)26-13-9-5-1-3-7-11(9)25-12-8-4-2-6-10(12)13/h1-8H,(H,25,26,27)

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Potential Energy
Epot(MMFF94)=99.5241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.257 g/mol  logS: -6.76642  SlogP: 6.3507  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0602846  Sterimol/B1: 2.49389  Sterimol/B2: 3.04413  Sterimol/B3: 3.21141
  Sterimol/B4: 9.7336  Sterimol/L: 15.2822 
 
 Surface and Volume Properties
  Accessible surface: 561.748  Positive charged surface: 188.27  Negative charged surface: 363.402  Volume: 294.625
  Hydrophobic surface: 296.741  Hydrophilic surface: 265.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.