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IBS-ZINC06755532

 MMsINC code: MMs01967849
Type: Neutral
Formula: C24H20FNO4
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1onc(C)c1-c1ccccc1OC
InChI:   InChI=1/C24H20FNO4/c1-15-23(20-5-3-4-6-22(20)28-2)24(30-26-15)19-12-11-18(13-21(19)27)29-14-16-7-9-17(25)10-8-16/h3-13,27H,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=135.873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.425 g/mol  logS: -6.96787  SlogP: 6.01572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105201  Sterimol/B1: 4.32923  Sterimol/B2: 4.52977  Sterimol/B3: 5.57915
  Sterimol/B4: 6.91862  Sterimol/L: 18.7962 
 
 Surface and Volume Properties
  Accessible surface: 682.822  Positive charged surface: 408.367  Negative charged surface: 274.454  Volume: 377.375
  Hydrophobic surface: 602.094  Hydrophilic surface: 80.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.