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IBS-ZINC05209491

 MMsINC code: MMs01931208
Type: Neutral
Formula: C22H16ClFN2O2
SMILES:   Clc1cccc(F)c1COc1cc(O)c(cc1)-c1n[nH]cc1-c1ccccc1
InChI:   InChI=1/C22H16ClFN2O2/c23-19-7-4-8-20(24)18(19)13-28-15-9-10-16(21(27)11-15)22-17(12-25-26-22)14-5-2-1-3-6-14/h1-12,27H,13H2,(H,25,26)

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Potential Energy
Epot(MMFF94)=95.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.833 g/mol  logS: -7.12808  SlogP: 6.0872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635868  Sterimol/B1: 2.54728  Sterimol/B2: 3.37195  Sterimol/B3: 3.79237
  Sterimol/B4: 8.87746  Sterimol/L: 17.5242 
 
 Surface and Volume Properties
  Accessible surface: 634.821  Positive charged surface: 324.401  Negative charged surface: 310.42  Volume: 354.625
  Hydrophobic surface: 504.475  Hydrophilic surface: 130.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.