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PUBCHEM-ZINC03756772

 MMsINC code: MMs03071410
Type: Neutral
Formula: C19H16FNO2
SMILES:   Fc1c2nc(cc(c2ccc1)C(O)=O)-c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H16FNO2/c1-11(2)12-6-8-13(9-7-12)17-10-15(19(22)23)14-4-3-5-16(20)18(14)21-17/h3-11H,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.34 g/mol  logS: -6.13734  SlogP: 4.8625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284943  Sterimol/B1: 2.37215  Sterimol/B2: 4.87577  Sterimol/B3: 5.14775
  Sterimol/B4: 5.80936  Sterimol/L: 16.2815 
 
 Surface and Volume Properties
  Accessible surface: 542.604  Positive charged surface: 298.769  Negative charged surface: 232.986  Volume: 294.625
  Hydrophobic surface: 395.805  Hydrophilic surface: 146.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03071411
PUBCHEM-ZINC03756772