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NCID-ZINC04946205

 MMsINC code: MMs02417882
Type: Neutral
Formula: C12H16F3NO7
SMILES:   FC(F)(F)C(=O)NC1COC(OC)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C12H16F3NO7/c1-5(17)22-8-7(16-11(19)12(13,14)15)4-21-10(20-3)9(8)23-6(2)18/h7-10H,4H2,1-3H3,(H,16,19)/t7-,8+,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=83.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.254 g/mol  logS: -1.99201  SlogP: 0.3195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121659  Sterimol/B1: 1.97061  Sterimol/B2: 3.28431  Sterimol/B3: 4.18622
  Sterimol/B4: 9.58494  Sterimol/L: 14.5447 
 
 Surface and Volume Properties
  Accessible surface: 540.519  Positive charged surface: 299.287  Negative charged surface: 241.233  Volume: 269.125
  Hydrophobic surface: 316.305  Hydrophilic surface: 224.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.