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IBS-ZINC05427255

 MMsINC code: MMs01946547
Type: Neutral
Formula: C20H16F3NO3
SMILES:   FC(F)(F)c1noc(c1-c1ccccc1)-c1ccc(OCC(C)=C)cc1O
InChI:   InChI=1/C20H16F3NO3/c1-12(2)11-26-14-8-9-15(16(25)10-14)18-17(13-6-4-3-5-7-13)19(24-27-18)20(21,22)23/h3-10,25H,1,11H2,2H3

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Potential Energy
Epot(MMFF94)=131.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.346 g/mol  logS: -6.26387  SlogP: 5.9994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392441  Sterimol/B1: 3.30427  Sterimol/B2: 3.56611  Sterimol/B3: 4.50618
  Sterimol/B4: 7.24553  Sterimol/L: 16.7181 
 
 Surface and Volume Properties
  Accessible surface: 597.868  Positive charged surface: 298.152  Negative charged surface: 299.716  Volume: 326.125
  Hydrophobic surface: 392.291  Hydrophilic surface: 205.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.