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IFLAB-ZINC04279741

 MMsINC code: MMs02035675
Type: Neutral
Formula: C19H16F4N2O3
SMILES:   Fc1ccccc1C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H16F4N2O3/c1-10-6-8-11(9-7-10)16(26)14-15(12-4-2-3-5-13(12)20)24-17(27)25-18(14,28)19(21,22)23/h2-9,14-15,28H,1H3,(H2,24,25,27)/t14-,15+,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.34 g/mol  logS: -5.08211  SlogP: 3.75342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127451  Sterimol/B1: 4.12032  Sterimol/B2: 4.20721  Sterimol/B3: 4.50942
  Sterimol/B4: 6.40112  Sterimol/L: 15.3475 
 
 Surface and Volume Properties
  Accessible surface: 554.909  Positive charged surface: 271.606  Negative charged surface: 283.303  Volume: 323.375
  Hydrophobic surface: 368.478  Hydrophilic surface: 186.431
 
 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.