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ASINEX-ZINC04551378

 MMsINC code: MMs00351565
Type: Neutral
Formula: C19H15FN2O5
SMILES:   Fc1ccc(cc1)COc1ccc(cc1OC)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C19H15FN2O5/c1-26-16-9-12(8-14-17(23)21-19(25)22-18(14)24)4-7-15(16)27-10-11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H2,21,22,23,24,25)

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Potential Energy
Epot(MMFF94)=61.9537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.336 g/mol  logS: -4.97474  SlogP: 2.4291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555956  Sterimol/B1: 2.22325  Sterimol/B2: 2.76579  Sterimol/B3: 4.5688
  Sterimol/B4: 8.61606  Sterimol/L: 18.4514 
 
 Surface and Volume Properties
  Accessible surface: 601.075  Positive charged surface: 356.834  Negative charged surface: 244.241  Volume: 319.625
  Hydrophobic surface: 405.153  Hydrophilic surface: 195.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.