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IBS-ZINC05484695

 MMsINC code: MMs01952791
Type: Neutral
Formula: C23H16F3NO3
SMILES:   FC(F)(F)c1noc(c1-c1ccccc1)-c1ccc(OCc2ccccc2)cc1O
InChI:   InChI=1/C23H16F3NO3/c24-23(25,26)22-20(16-9-5-2-6-10-16)21(30-27-22)18-12-11-17(13-19(18)28)29-14-15-7-3-1-4-8-15/h1-13,28H,14H2

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Potential Energy
Epot(MMFF94)=143.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.379 g/mol  logS: -7.51859  SlogP: 6.8899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538247  Sterimol/B1: 3.61503  Sterimol/B2: 3.64709  Sterimol/B3: 5.75852
  Sterimol/B4: 5.97832  Sterimol/L: 18.8218 
 
 Surface and Volume Properties
  Accessible surface: 650.027  Positive charged surface: 313.491  Negative charged surface: 336.537  Volume: 355.75
  Hydrophobic surface: 477.752  Hydrophilic surface: 172.275
 
 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.