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ASINEX-ZINC04968358

 MMsINC code: MMs00417304
Type: Neutral
Formula: C19H24F3N5O
SMILES:   FC(F)(F)c1ccc(cc1)C(N1CCC(O)CC1)c1nnnn1C1CCCC1
InChI:   InChI=1/C19H24F3N5O/c20-19(21,22)14-7-5-13(6-8-14)17(26-11-9-16(28)10-12-26)18-23-24-25-27(18)15-3-1-2-4-15/h5-8,15-17,28H,1-4,9-12H2/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=75.0507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.429 g/mol  logS: -3.06295  SlogP: 3.8556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136185  Sterimol/B1: 2.34807  Sterimol/B2: 5.36258  Sterimol/B3: 5.74682
  Sterimol/B4: 8.17125  Sterimol/L: 13.5657 
 
 Surface and Volume Properties
  Accessible surface: 616.599  Positive charged surface: 350.946  Negative charged surface: 232.799  Volume: 351.625
  Hydrophobic surface: 441.531  Hydrophilic surface: 175.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00417305
ASINEX-ZINC04968358