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NCID-ZINC01624962

 MMsINC code: MMs02271856
Type: Neutral
Formula: C11H16F3NO5
SMILES:   FC(F)(F)C(=O)NC1CC(OC(C)C1OC(=O)C)OC
InChI:   InChI=1/C11H16F3NO5/c1-5-9(20-6(2)16)7(4-8(18-3)19-5)15-10(17)11(12,13)14/h5,7-9H,4H2,1-3H3,(H,15,17)/t5-,7+,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=75.0006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.245 g/mol  logS: -2.10546  SlogP: 1.1664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131705  Sterimol/B1: 1.969  Sterimol/B2: 3.41904  Sterimol/B3: 4.86073
  Sterimol/B4: 7.64601  Sterimol/L: 12.6599 
 
 Surface and Volume Properties
  Accessible surface: 491.756  Positive charged surface: 272.796  Negative charged surface: 218.96  Volume: 242.875
  Hydrophobic surface: 270.931  Hydrophilic surface: 220.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.