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ASINEX-ZINC04848485

 MMsINC code: MMs00378869
Type: Neutral
Formula: C20H15ClFN3O
SMILES:   ClC=1C=Cc2n(C=1)c(NCc1ccc(F)cc1)c(n2)-c1ccccc1O
InChI:   InChI=1/C20H15ClFN3O/c21-14-7-10-18-24-19(16-3-1-2-4-17(16)26)20(25(18)12-14)23-11-13-5-8-15(22)9-6-13/h1-10,12,23,26H,11H2

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Potential Energy
Epot(MMFF94)=167.819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.811 g/mol  logS: -5.65038  SlogP: 5.4462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690055  Sterimol/B1: 2.98875  Sterimol/B2: 3.41746  Sterimol/B3: 3.92064
  Sterimol/B4: 11.3439  Sterimol/L: 14.3367 
 
 Surface and Volume Properties
  Accessible surface: 597.809  Positive charged surface: 283.928  Negative charged surface: 313.881  Volume: 326.5
  Hydrophobic surface: 542.987  Hydrophilic surface: 54.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.