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PUBCHEM-ZINC03757264

 MMsINC code: MMs03071819
Type: Ionized
Formula: C19H14F2NO2-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.322 g/mol  logS: -6.69277  SlogP: 3.6669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567151  Sterimol/B1: 2.45611  Sterimol/B2: 3.34828  Sterimol/B3: 4.7762
  Sterimol/B4: 6.66833  Sterimol/L: 16.4256 
 
 Surface and Volume Properties
  Accessible surface: 550.685  Positive charged surface: 275.461  Negative charged surface: 267.702  Volume: 299.25
  Hydrophobic surface: 418.206  Hydrophilic surface: 132.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03071818
PUBCHEM-ZINC03757264