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ENAMINE-ZINC03244517

 MMsINC code: MMs01326789
Type: Neutral
Formula: C20H18FNO5
SMILES:   Fc1ccc(cc1)C(=O)CCC(OCC(=O)Nc1cc(ccc1)C(=O)C)=O
InChI:   InChI=1/C20H18FNO5/c1-13(23)15-3-2-4-17(11-15)22-19(25)12-27-20(26)10-9-18(24)14-5-7-16(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.364 g/mol  logS: -4.46548  SlogP: 3.1731  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00955593  Sterimol/B1: 2.38636  Sterimol/B2: 2.53858  Sterimol/B3: 3.16844
  Sterimol/B4: 7.07808  Sterimol/L: 21.8578 
 
 Surface and Volume Properties
  Accessible surface: 663.113  Positive charged surface: 370.197  Negative charged surface: 292.916  Volume: 338.875
  Hydrophobic surface: 501.369  Hydrophilic surface: 161.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.