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ENAMINE-ZINC03259966

 MMsINC code: MMs01336112
Type: Neutral
Formula: C7H14F3NO
SMILES:   FC(F)(F)C(O)C(N)CC(C)C
InChI:   InChI=1/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.189 g/mol  logS: -1.72177  SlogP: 1.7029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198893  Sterimol/B1: 2.13202  Sterimol/B2: 2.27783  Sterimol/B3: 4.26697
  Sterimol/B4: 4.56178  Sterimol/L: 11.1992 
 
 Surface and Volume Properties
  Accessible surface: 355.388  Positive charged surface: 201.664  Negative charged surface: 153.724  Volume: 162.125
  Hydrophobic surface: 147.06  Hydrophilic surface: 208.328
 
 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


MMs01336113
ENAMINE-ZINC03259966