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ENAMINE-ZINC05517397

 MMsINC code: MMs01619381
Type: Neutral
Formula: C19H16F3N3O2
SMILES:   FC(F)(F)c1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1ccccc1
InChI:   InChI=1/C19H16F3N3O2/c1-11-15(17(26)24-12-7-3-2-4-8-12)16(25-18(27)23-11)13-9-5-6-10-14(13)19(20,21)22/h2-10,16H,1H3,(H,24,26)(H2,23,25,27)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.8101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.35 g/mol  logS: -5.16237  SlogP: 4.379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22055  Sterimol/B1: 2.11674  Sterimol/B2: 3.8334  Sterimol/B3: 5.0678
  Sterimol/B4: 9.23041  Sterimol/L: 14.3476 
 
 Surface and Volume Properties
  Accessible surface: 544.158  Positive charged surface: 267.631  Negative charged surface: 276.527  Volume: 319.625
  Hydrophobic surface: 360.438  Hydrophilic surface: 183.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.