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PUBCHEM-ZINC01452874

 MMsINC code: MMs02807173
Type: Neutral
Formula: C22H18ClFN2O
SMILES:   Clc1cccc(F)c1Cn1c2c(nc1COc1ccccc1C)cccc2
InChI:   InChI=1/C22H18ClFN2O/c1-15-7-2-5-12-21(15)27-14-22-25-19-10-3-4-11-20(19)26(22)13-16-17(23)8-6-9-18(16)24/h2-12H,13-14H2,1H3

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Potential Energy
Epot(MMFF94)=104.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.85 g/mol  logS: -6.30633  SlogP: 6.29732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109646  Sterimol/B1: 2.36213  Sterimol/B2: 2.69673  Sterimol/B3: 5.25016
  Sterimol/B4: 9.27907  Sterimol/L: 15.3151 
 
 Surface and Volume Properties
  Accessible surface: 606.743  Positive charged surface: 329.686  Negative charged surface: 277.058  Volume: 352.375
  Hydrophobic surface: 566.502  Hydrophilic surface: 40.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.