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ASINEX-ZINC00203396

 MMsINC code: MMs00091652
Type: Neutral
Formula: C17H16FNO4
SMILES:   Fc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(OC)cc1
InChI:   InChI=1/C17H16FNO4/c1-23-14-8-4-11(5-9-14)15(10-16(20)21)19-17(22)12-2-6-13(18)7-3-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.9301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.316 g/mol  logS: -3.52203  SlogP: 2.8756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723213  Sterimol/B1: 2.18393  Sterimol/B2: 3.41269  Sterimol/B3: 3.67876
  Sterimol/B4: 8.86215  Sterimol/L: 15.6864 
 
 Surface and Volume Properties
  Accessible surface: 551.406  Positive charged surface: 319.832  Negative charged surface: 231.574  Volume: 288.25
  Hydrophobic surface: 426.09  Hydrophilic surface: 125.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00091653
ASINEX-ZINC00203396