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PUBCHEM-ZINC03756422

 MMsINC code: MMs03071120
Type: Neutral
Formula: C19H15F2NO2
SMILES:   Fc1cc(F)cc2c1nc(cc2C(O)=O)-c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H15F2NO2/c1-10(2)11-3-5-12(6-4-11)17-9-15(19(23)24)14-7-13(20)8-16(21)18(14)22-17/h3-10H,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.2993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.33 g/mol  logS: -6.43232  SlogP: 5.0016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283285  Sterimol/B1: 2.37196  Sterimol/B2: 4.87592  Sterimol/B3: 5.1442
  Sterimol/B4: 5.81414  Sterimol/L: 16.5653 
 
 Surface and Volume Properties
  Accessible surface: 547.369  Positive charged surface: 288.532  Negative charged surface: 247.766  Volume: 296.375
  Hydrophobic surface: 399.106  Hydrophilic surface: 148.263
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03071121
PUBCHEM-ZINC03756422