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IBS-ZINC05452205

 MMsINC code: MMs01948953
Type: Neutral
Formula: C24H20FNO4
SMILES:   Fc1ccccc1COc1cc(O)c(cc1)-c1onc(C)c1-c1ccc(OC)cc1
InChI:   InChI=1/C24H20FNO4/c1-15-23(16-7-9-18(28-2)10-8-16)24(30-26-15)20-12-11-19(13-22(20)27)29-14-17-5-3-4-6-21(17)25/h3-13,27H,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=139.923 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: 0.0319198  Sterimol/B1: 3.2841  Sterimol/B2: 3.75966  Sterimol/B3: 4.40001
  Sterimol/B4: 9.18898  Sterimol/L: 18.4462 
 
 Surface and Volume Properties
  Accessible surface: 677.953  Positive charged surface: 407.038  Negative charged surface: 270.915  Volume: 373.875
  Hydrophobic surface: 593.651  Hydrophilic surface: 84.302
 
 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.