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PUBCHEM-ZINC01061121

 MMsINC code: MMs02762586
Type: Neutral
Formula: C22H16ClFN2O
SMILES:   Clc1ccc(cc1)-c1nn(Cc2ccc(F)cc2)c(c1)-c1ccccc1O
InChI:   InChI=1/C22H16ClFN2O/c23-17-9-7-16(8-10-17)20-13-21(19-3-1-2-4-22(19)27)26(25-20)14-15-5-11-18(24)12-6-15/h1-13,27H,14H2

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Potential Energy
Epot(MMFF94)=115.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.834 g/mol  logS: -6.94051  SlogP: 6.0299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625976  Sterimol/B1: 3.35777  Sterimol/B2: 4.01288  Sterimol/B3: 6.50983
  Sterimol/B4: 7.14905  Sterimol/L: 16.2643 
 
 Surface and Volume Properties
  Accessible surface: 622.288  Positive charged surface: 292.384  Negative charged surface: 329.903  Volume: 347
  Hydrophobic surface: 565.901  Hydrophilic surface: 56.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.