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ENAMINE-ZINC06996975

 MMsINC code: MMs01717456
Type: Neutral
Formula: C17H11FN2O3
SMILES:   Fc1ccccc1C(=O)n1ncc(c1)C(=O)c1ccccc1O
InChI:   InChI=1/C17H11FN2O3/c18-14-7-3-1-5-12(14)17(23)20-10-11(9-19-20)16(22)13-6-2-4-8-15(13)21/h1-10,21H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.284 g/mol  logS: -3.87598  SlogP: 2.6473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542407  Sterimol/B1: 2.40091  Sterimol/B2: 4.0896  Sterimol/B3: 4.79804
  Sterimol/B4: 5.50069  Sterimol/L: 16.3103 
 
 Surface and Volume Properties
  Accessible surface: 521.911  Positive charged surface: 266.003  Negative charged surface: 255.907  Volume: 272
  Hydrophobic surface: 391.585  Hydrophilic surface: 130.326
 
 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.