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IBS-ZINC05451270

 MMsINC code: MMs01948024
Type: Neutral
Formula: C24H20FNO4
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1onc(C)c1-c1ccc(OC)cc1
InChI:   InChI=1/C24H20FNO4/c1-15-23(17-5-9-19(28-2)10-6-17)24(30-26-15)21-12-11-20(13-22(21)27)29-14-16-3-7-18(25)8-4-16/h3-13,27H,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=141.307 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: 0.0572326  Sterimol/B1: 3.48403  Sterimol/B2: 3.82948  Sterimol/B3: 4.40717
  Sterimol/B4: 9.18811  Sterimol/L: 18.7331 
 
 Surface and Volume Properties
  Accessible surface: 684.602  Positive charged surface: 410.635  Negative charged surface: 273.967  Volume: 378.125
  Hydrophobic surface: 595.375  Hydrophilic surface: 89.227
 
 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.