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IBS-ZINC05217080

 MMsINC code: MMs01932166
Type: Neutral
Formula: C22H17FN2O2
SMILES:   Fc1ccccc1COc1cc(O)c(cc1)-c1n[nH]cc1-c1ccccc1
InChI:   InChI=1/C22H17FN2O2/c23-20-9-5-4-8-16(20)14-27-17-10-11-18(21(26)12-17)22-19(13-24-25-22)15-6-2-1-3-7-15/h1-13,26H,14H2,(H,24,25)

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Potential Energy
Epot(MMFF94)=97.1893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.388 g/mol  logS: -6.39379  SlogP: 5.4338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534362  Sterimol/B1: 2.50934  Sterimol/B2: 3.15957  Sterimol/B3: 4.02506
  Sterimol/B4: 8.93464  Sterimol/L: 17.5311 
 
 Surface and Volume Properties
  Accessible surface: 610.827  Positive charged surface: 342.888  Negative charged surface: 267.939  Volume: 339.125
  Hydrophobic surface: 485.362  Hydrophilic surface: 125.465
 
 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.