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MAYBRIDGE-ZINC01040744

 MMsINC code: MMs02153912
Type: Neutral
Formula: C19H12Cl2FNO4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1ccc(F)cc1C(=O)C)=O
InChI:   InChI=1/C19H12Cl2FNO4/c1-9(24)12-8-11(22)6-7-15(12)26-19(25)16-10(2)27-23-18(16)17-13(20)4-3-5-14(17)21/h3-8H,1-2H3

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Potential Energy
Epot(MMFF94)=108.251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.212 g/mol  logS: -6.92969  SlogP: 5.51772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078999  Sterimol/B1: 2.46974  Sterimol/B2: 4.29717  Sterimol/B3: 4.69813
  Sterimol/B4: 9.68007  Sterimol/L: 13.6489 
 
 Surface and Volume Properties
  Accessible surface: 579.383  Positive charged surface: 235.512  Negative charged surface: 343.872  Volume: 333.375
  Hydrophobic surface: 528.32  Hydrophilic surface: 51.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.