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PUBCHEM-ZINC00405202

 MMsINC code: MMs02676827
Type: Neutral
Formula: C17H16FNO4
SMILES:   Fc1ccccc1C(O)C(NC(=O)c1ccccc1)C(OC)=O
InChI:   InChI=1/C17H16FNO4/c1-23-17(22)14(15(20)12-9-5-6-10-13(12)18)19-16(21)11-7-3-2-4-8-11/h2-10,14-15,20H,1H3,(H,19,21)/t14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.5398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.316 g/mol  logS: -3.79952  SlogP: 1.9262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09693  Sterimol/B1: 2.04282  Sterimol/B2: 3.4643  Sterimol/B3: 4.31156
  Sterimol/B4: 7.34008  Sterimol/L: 16.4299 
 
 Surface and Volume Properties
  Accessible surface: 538.684  Positive charged surface: 304.367  Negative charged surface: 234.317  Volume: 288.25
  Hydrophobic surface: 450.371  Hydrophilic surface: 88.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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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Ions/Tautomers related molecules: no related molecules available.