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PUBCHEM-ZINC05242261

 MMsINC code: MMs03227013
Type: Neutral
Formula: C19H16F4N2O3
SMILES:   FC(F)(C(F)F)C1(O)NC(=O)NC(C1C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16F4N2O3/c20-16(21)18(22,23)19(28)13(15(26)12-9-5-2-6-10-12)14(24-17(27)25-19)11-7-3-1-4-8-11/h1-10,13-14,16,28H,(H2,24,25,27)/t13-,14+,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.4231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.34 g/mol  logS: -4.46167  SlogP: 4.0639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213752  Sterimol/B1: 2.88053  Sterimol/B2: 3.57129  Sterimol/B3: 5.48232
  Sterimol/B4: 8.22967  Sterimol/L: 14.0919 
 
 Surface and Volume Properties
  Accessible surface: 549.549  Positive charged surface: 251.017  Negative charged surface: 298.532  Volume: 320.75
  Hydrophobic surface: 345.84  Hydrophilic surface: 203.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.