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ASINEX-ZINC02863525

 MMsINC code: MMs00279682
Type: Neutral
Formula: C12H16F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C)C1=O)NC(=O)C1CCCCC1
InChI:   InChI=1/C12H16F3N3O3/c1-18-9(20)11(12(13,14)15,17-10(18)21)16-8(19)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,19)(H,17,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=37.1044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.272 g/mol  logS: -3.20053  SlogP: 1.543  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109381  Sterimol/B1: 2.44262  Sterimol/B2: 2.85658  Sterimol/B3: 4.62234
  Sterimol/B4: 5.75028  Sterimol/L: 14.0329 
 
 Surface and Volume Properties
  Accessible surface: 479.201  Positive charged surface: 307.758  Negative charged surface: 171.442  Volume: 248.5
  Hydrophobic surface: 284.144  Hydrophilic surface: 195.057
 
 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.