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MAYBRIDGE-ZINC01048814

 MMsINC code: MMs02157667
Type: Neutral
Formula: C22H19ClFNO5
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(Oc1ccc(cc1OC)CCC(=O)C)=O
InChI:   InChI=1/C22H19ClFNO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3

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Potential Energy
Epot(MMFF94)=111.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.847 g/mol  logS: -6.18917  SlogP: 5.19189  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0505548  Sterimol/B1: 2.3832  Sterimol/B2: 3.66461  Sterimol/B3: 4.31848
  Sterimol/B4: 10.3543  Sterimol/L: 17.5313 
 
 Surface and Volume Properties
  Accessible surface: 683.881  Positive charged surface: 368.564  Negative charged surface: 315.317  Volume: 380.75
  Hydrophobic surface: 599.68  Hydrophilic surface: 84.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.