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IBS-ZINC05484573

 MMsINC code: MMs01952750
Type: Neutral
Formula: C16H10F3NO3
SMILES:   FC(F)(F)c1noc(c1-c1ccccc1)-c1ccc(O)cc1O
InChI:   InChI=1/C16H10F3NO3/c17-16(18,19)15-13(9-4-2-1-3-5-9)14(23-20-15)11-7-6-10(21)8-12(11)22/h1-8,21-22H

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Potential Energy
Epot(MMFF94)=111.654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.254 g/mol  logS: -5.33836  SlogP: 4.7501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890542  Sterimol/B1: 2.50582  Sterimol/B2: 3.35168  Sterimol/B3: 3.4709
  Sterimol/B4: 8.13675  Sterimol/L: 12.0503 
 
 Surface and Volume Properties
  Accessible surface: 489.784  Positive charged surface: 227.841  Negative charged surface: 261.944  Volume: 260.25
  Hydrophobic surface: 277.544  Hydrophilic surface: 212.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.