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IBS-ZINC05451169

 MMsINC code: MMs01947923
Type: Neutral
Formula: C23H17ClFNO3
SMILES:   Clc1ccc(cc1)-c1c(onc1C)-c1ccc(OCc2ccccc2F)cc1O
InChI:   InChI=1/C23H17ClFNO3/c1-14-22(15-6-8-17(24)9-7-15)23(29-26-14)19-11-10-18(12-21(19)27)28-13-16-4-2-3-5-20(16)25/h2-12,27H,13H2,1H3

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Potential Energy
Epot(MMFF94)=126.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.844 g/mol  logS: -7.65178  SlogP: 6.66052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261954  Sterimol/B1: 3.39375  Sterimol/B2: 3.49004  Sterimol/B3: 4.8121
  Sterimol/B4: 8.12903  Sterimol/L: 18.6336 
 
 Surface and Volume Properties
  Accessible surface: 662.597  Positive charged surface: 327.358  Negative charged surface: 335.239  Volume: 364.875
  Hydrophobic surface: 588.646  Hydrophilic surface: 73.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.