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IBS-ZINC05451365

 MMsINC code: MMs01948115
Type: Neutral
Formula: C23H18FNO4
SMILES:   Fc1ccccc1COc1cc(O)c(cc1)-c1oncc1-c1ccc(OC)cc1
InChI:   InChI=1/C23H18FNO4/c1-27-17-8-6-15(7-9-17)20-13-25-29-23(20)19-11-10-18(12-22(19)26)28-14-16-4-2-3-5-21(16)24/h2-13,26H,14H2,1H3

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Potential Energy
Epot(MMFF94)=119.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.398 g/mol  logS: -6.65448  SlogP: 5.7073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718674  Sterimol/B1: 2.39162  Sterimol/B2: 2.56888  Sterimol/B3: 4.71675
  Sterimol/B4: 10.4587  Sterimol/L: 17.1921 
 
 Surface and Volume Properties
  Accessible surface: 648.67  Positive charged surface: 391.486  Negative charged surface: 257.184  Volume: 361.875
  Hydrophobic surface: 562.929  Hydrophilic surface: 85.741
 
 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.