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ALFAAESAR-ZINC04255706

 MMsINC code: MMs00024617
Type: Neutral
Formula: C6H10F3NO2
SMILES:   FC(F)(F)C(N)CC(OCC)=O
InChI:   InChI=1/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=37.2067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.145 g/mol  logS: -0.98219  SlogP: 1.2491  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0729594  Sterimol/B1: 2.56976  Sterimol/B2: 2.91563  Sterimol/B3: 3.12539
  Sterimol/B4: 3.89613  Sterimol/L: 12.3492 
 
 Surface and Volume Properties
  Accessible surface: 358.04  Positive charged surface: 197.25  Negative charged surface: 160.79  Volume: 148.125
  Hydrophobic surface: 155.574  Hydrophilic surface: 202.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.