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ASINEX-ZINC00354359

 MMsINC code: MMs00123263
Type: Neutral
Formula: C18H14FN3O3
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C18H14FN3O3/c1-22-14-5-3-2-4-13(14)16(23)15(18(22)25)17(24)21-20-10-11-6-8-12(19)9-7-11/h2-10,23H,1H3,(H,21,24)/b20-10+

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Potential Energy
Epot(MMFF94)=98.8229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.326 g/mol  logS: -4.26756  SlogP: 2.2215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428979  Sterimol/B1: 2.22141  Sterimol/B2: 3.54567  Sterimol/B3: 4.00832
  Sterimol/B4: 7.32544  Sterimol/L: 18.8376 
 
 Surface and Volume Properties
  Accessible surface: 581.224  Positive charged surface: 330.769  Negative charged surface: 250.456  Volume: 300.375
  Hydrophobic surface: 441.121  Hydrophilic surface: 140.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.