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PUBCHEM-ZINC05600405

 MMsINC code: MMs03320342
Type: Neutral
Formula: C7H10F3NO2
SMILES:   FC(F)(F)C(=O)NC1CCCC1O
InChI:   InChI=1/C7H10F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5(4)12/h4-5,12H,1-3H2,(H,11,13)/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=60.1671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.156 g/mol  logS: -1.39771  SlogP: 0.9982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13691  Sterimol/B1: 2.22853  Sterimol/B2: 2.5602  Sterimol/B3: 3.76036
  Sterimol/B4: 5.37214  Sterimol/L: 10.8299 
 
 Surface and Volume Properties
  Accessible surface: 363.137  Positive charged surface: 187.21  Negative charged surface: 175.928  Volume: 153.25
  Hydrophobic surface: 158.087  Hydrophilic surface: 205.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.