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ENAMINE-ZINC03346650

 MMsINC code: MMs01386774
Type: Neutral
Formula: C18H17F4N3O2
SMILES:   Fc1cc(NC(=O)CN(CC(=O)Nc2cc(ccc2)C(F)(F)F)C)ccc1
InChI:   InChI=1/C18H17F4N3O2/c1-25(11-17(27)24-15-7-3-5-13(19)9-15)10-16(26)23-14-6-2-4-12(8-14)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.345 g/mol  logS: -4.83282  SlogP: 3.665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249474  Sterimol/B1: 1.969  Sterimol/B2: 3.26084  Sterimol/B3: 4.54817
  Sterimol/B4: 5.82668  Sterimol/L: 19.2838 
 
 Surface and Volume Properties
  Accessible surface: 629.776  Positive charged surface: 335.195  Negative charged surface: 294.581  Volume: 323.625
  Hydrophobic surface: 449.854  Hydrophilic surface: 179.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.