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NCID-ZINC01625429

 MMsINC code: MMs02272149
Type: Neutral
Formula: C11H9F3N2O4
SMILES:   FC(F)(F)C1=CN(C2OC(C)C(=O)C=C2)C(=O)NC1=O
InChI:   InChI=1/C11H9F3N2O4/c1-5-7(17)2-3-8(20-5)16-4-6(11(12,13)14)9(18)15-10(16)19/h2-5,8H,1H3,(H,15,18,19)/t5-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=14.0437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.197 g/mol  logS: -2.73623  SlogP: 1.2744  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.298099  Sterimol/B1: 2.45065  Sterimol/B2: 3.60599  Sterimol/B3: 5.55114
  Sterimol/B4: 6.09439  Sterimol/L: 11.185 
 
 Surface and Volume Properties
  Accessible surface: 429.522  Positive charged surface: 185.457  Negative charged surface: 244.065  Volume: 213.625
  Hydrophobic surface: 136.791  Hydrophilic surface: 292.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.