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ENAMINE-ZINC04514733

MMsINC code: MMs01544724

Type: Neutral
Formula: C19H15F3N2O4
SMILES:   Fc1ccccc1C(=O)CN1C(=O)C(NC1=O)(C)c1ccc(OC(F)F)cc1
InChI:   InChI=1/C19H15F3N2O4/c1-19(11-6-8-12(9-7-11)28-17(21)22)16(26)24(18(27)23-19)10-15(25)13-4-2-3-5-14(13)20/h2-9,17H,10H2,1H3,(H,23,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.9678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.333 g/mol  logS: -4.65808  SlogP: 3.8084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602659  Sterimol/B1: 2.21063  Sterimol/B2: 2.42443  Sterimol/B3: 5.46671
  Sterimol/B4: 7.24755  Sterimol/L: 18.3292 
 
 Surface and Volume Properties
  Accessible surface: 592.957  Positive charged surface: 289.824  Negative charged surface: 303.133  Volume: 324.375
  Hydrophobic surface: 383.278  Hydrophilic surface: 209.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.