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PUBCHEM-ZINC05757083

 MMsINC code: MMs03372325
Type: Neutral
Formula: C22H15ClFN3O
SMILES:   Clc1cccc(F)c1COc1cc(ccc1)-c1nc(ncc1)-c1ccncc1
InChI:   InChI=1/C22H15ClFN3O/c23-19-5-2-6-20(24)18(19)14-28-17-4-1-3-16(13-17)21-9-12-26-22(27-21)15-7-10-25-11-8-15/h1-13H,14H2

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Potential Energy
Epot(MMFF94)=82.6343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.833 g/mol  logS: -6.95799  SlogP: 5.8435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374898  Sterimol/B1: 2.52726  Sterimol/B2: 4.00254  Sterimol/B3: 4.60796
  Sterimol/B4: 9.72157  Sterimol/L: 16.9853 
 
 Surface and Volume Properties
  Accessible surface: 638.639  Positive charged surface: 347.319  Negative charged surface: 281.31  Volume: 354.875
  Hydrophobic surface: 589.354  Hydrophilic surface: 49.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.