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ENAMINE-ZINC02652418

 MMsINC code: MMs01276317
Type: Neutral
Formula: C11H16F3N3O3
SMILES:   FC(F)(F)CNC(=O)CN1C(=O)C(NC1=O)CC(C)C
InChI:   InChI=1/C11H16F3N3O3/c1-6(2)3-7-9(19)17(10(20)16-7)4-8(18)15-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,20)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=30.1981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.261 g/mol  logS: -2.84947  SlogP: 1.0513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561086  Sterimol/B1: 2.01994  Sterimol/B2: 3.71948  Sterimol/B3: 3.83784
  Sterimol/B4: 5.03043  Sterimol/L: 16.6169 
 
 Surface and Volume Properties
  Accessible surface: 506.692  Positive charged surface: 273.996  Negative charged surface: 232.696  Volume: 244.375
  Hydrophobic surface: 209.842  Hydrophilic surface: 296.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.