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PUBCHEM-ZINC03097488

 MMsINC code: MMs02993177
Type: Neutral
Formula: C21H16ClFN2O2
SMILES:   Clc1ccc(cc1)COc1ccc(cc1)\C=N\NC(=O)c1cc(F)ccc1
InChI:   InChI=1/C21H16ClFN2O2/c22-18-8-4-16(5-9-18)14-27-20-10-6-15(7-11-20)13-24-25-21(26)17-2-1-3-19(23)12-17/h1-13H,14H2,(H,25,26)/b24-13+

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Potential Energy
Epot(MMFF94)=103.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.822 g/mol  logS: -6.3857  SlogP: 5.0884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169921  Sterimol/B1: 2.6038  Sterimol/B2: 3.61662  Sterimol/B3: 3.61965
  Sterimol/B4: 6.35174  Sterimol/L: 23.8709 
 
 Surface and Volume Properties
  Accessible surface: 667.988  Positive charged surface: 318.745  Negative charged surface: 349.244  Volume: 349.375
  Hydrophobic surface: 585.493  Hydrophilic surface: 82.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.