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IBS-ZINC05452173

 MMsINC code: MMs01948926
Type: Neutral
Formula: C23H17ClFNO3
SMILES:   Clc1ccc(cc1)-c1c(onc1C)-c1ccc(OCc2ccc(F)cc2)cc1O
InChI:   InChI=1/C23H17ClFNO3/c1-14-22(16-4-6-17(24)7-5-16)23(29-26-14)20-11-10-19(12-21(20)27)28-13-15-2-8-18(25)9-3-15/h2-12,27H,13H2,1H3

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Potential Energy
Epot(MMFF94)=128.287 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: 0.0525458  Sterimol/B1: 3.55083  Sterimol/B2: 3.70652  Sterimol/B3: 4.80459
  Sterimol/B4: 8.13088  Sterimol/L: 18.9131 
 
 Surface and Volume Properties
  Accessible surface: 669.621  Positive charged surface: 331.116  Negative charged surface: 338.505  Volume: 366.375
  Hydrophobic surface: 590.53  Hydrophilic surface: 79.091
 
 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.