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CHEMDIV-ZINC04034457

 MMsINC code: MMs00923217
Type: Neutral
Formula: C18H19F3N4O2
SMILES:   FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C18H19F3N4O2/c1-27-15-4-2-3-14(11-15)23-17(26)25-9-7-24(8-10-25)16-6-5-13(12-22-16)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.37 g/mol  logS: -3.35284  SlogP: 3.7746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518885  Sterimol/B1: 2.46182  Sterimol/B2: 3.01244  Sterimol/B3: 4.7929
  Sterimol/B4: 6.50776  Sterimol/L: 19.5679 
 
 Surface and Volume Properties
  Accessible surface: 614.419  Positive charged surface: 393.112  Negative charged surface: 221.307  Volume: 328
  Hydrophobic surface: 444.845  Hydrophilic surface: 169.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.