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NCID-ZINC01700669

 MMsINC code: MMs02330404
Type: Neutral
Formula: C7H10F7NO
SMILES:   FC(F)(C(O)C(N)CC)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H10F7NO/c1-2-3(15)4(16)5(8,9)6(10,11)7(12,13)14/h3-4,16H,2,15H2,1H3/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=56.3728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.149 g/mol  logS: -2.09801  SlogP: 3.1772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104299  Sterimol/B1: 2.83322  Sterimol/B2: 3.53349  Sterimol/B3: 3.55416
  Sterimol/B4: 3.67434  Sterimol/L: 12.4962 
 
 Surface and Volume Properties
  Accessible surface: 375.642  Positive charged surface: 155.582  Negative charged surface: 220.06  Volume: 174.75
  Hydrophobic surface: 103.356  Hydrophilic surface: 272.286
 
 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


MMs02330405
NCID-ZINC01700669