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IBS-ZINC05354136

 MMsINC code: MMs01944318
Type: Neutral
Formula: C18H14F3NO3
SMILES:   FC(F)(F)c1noc(c1-c1ccccc1)-c1ccc(OCC)cc1O
InChI:   InChI=1/C18H14F3NO3/c1-2-24-12-8-9-13(14(23)10-12)16-15(11-6-4-3-5-7-11)17(22-25-16)18(19,20)21/h3-10,23H,2H2,1H3

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Potential Energy
Epot(MMFF94)=120.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.308 g/mol  logS: -6.0779  SlogP: 5.4432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055326  Sterimol/B1: 3.29573  Sterimol/B2: 3.57747  Sterimol/B3: 5.26746
  Sterimol/B4: 6.33094  Sterimol/L: 15.3339 
 
 Surface and Volume Properties
  Accessible surface: 552.623  Positive charged surface: 287.988  Negative charged surface: 264.634  Volume: 295.375
  Hydrophobic surface: 362.36  Hydrophilic surface: 190.263
 
 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.