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ASINEX-ZINC00273549

 MMsINC code: MMs00105306
Type: Tautomer
Formula: C19H16FNO4
SMILES:   Fc1ccc(N2C(C(C(=O)C)C(=O)C2=O)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C19H16FNO4/c1-11(22)16-17(12-3-9-15(25-2)10-4-12)21(19(24)18(16)23)14-7-5-13(20)6-8-14/h3-10,16-17H,1-2H3/t16-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.2978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.338 g/mol  logS: -4.16962  SlogP: 2.792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217371  Sterimol/B1: 3.23574  Sterimol/B2: 3.54686  Sterimol/B3: 4.03866
  Sterimol/B4: 8.27771  Sterimol/L: 12.446 
 
 Surface and Volume Properties
  Accessible surface: 533.27  Positive charged surface: 303.716  Negative charged surface: 229.554  Volume: 303.625
  Hydrophobic surface: 422.642  Hydrophilic surface: 110.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00105304
ASINEX-ZINC00273549