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PUBCHEM-ZINC03757264

 MMsINC code: MMs03071818
Type: Neutral
Formula: C19H15F2NO2
SMILES:   Fc1ccc(F)cc1-c1nc2c(cc(cc2)C(C)C)c(c1)C(O)=O
InChI:   InChI=1/C19H15F2NO2/c1-10(2)11-3-6-17-13(7-11)14(19(23)24)9-18(22-17)15-8-12(20)4-5-16(15)21/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)=81.469 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: 0.0309549  Sterimol/B1: 2.38662  Sterimol/B2: 3.95391  Sterimol/B3: 4.86056
  Sterimol/B4: 6.89209  Sterimol/L: 16.2684 
 
 Surface and Volume Properties
  Accessible surface: 544.842  Positive charged surface: 295.341  Negative charged surface: 238.956  Volume: 296.25
  Hydrophobic surface: 397.574  Hydrophilic surface: 147.268
 
 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


MMs03071819
PUBCHEM-ZINC03757264