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ENAMINE-ZINC03259964

 MMsINC code: MMs01336110
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+/m0/s1

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Potential Energy
Epot(MMFF94)=49.2936 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: 0.172792  Sterimol/B1: 2.547  Sterimol/B2: 2.99066  Sterimol/B3: 3.75291
  Sterimol/B4: 4.33771  Sterimol/L: 11.1623 
 
 Surface and Volume Properties
  Accessible surface: 354.514  Positive charged surface: 195.859  Negative charged surface: 158.655  Volume: 164.625
  Hydrophobic surface: 146.333  Hydrophilic surface: 208.181
 
 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


MMs01336111
ENAMINE-ZINC03259964