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ENAMINE-ZINC02617367

 MMsINC code: MMs01253223
Type: Neutral
Formula: C19H15BrClFN2O2
SMILES:   Brc1cc(F)c(cc1)COC(=O)c1c(nn(Cc2ccccc2)c1Cl)C
InChI:   InChI=1/C19H15BrClFN2O2/c1-12-17(18(21)24(23-12)10-13-5-3-2-4-6-13)19(25)26-11-14-7-8-15(20)9-16(14)22/h2-9H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=68.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.696 g/mol  logS: -6.37677  SlogP: 5.68462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800584  Sterimol/B1: 2.22385  Sterimol/B2: 3.30181  Sterimol/B3: 5.05888
  Sterimol/B4: 7.45387  Sterimol/L: 19.3807 
 
 Surface and Volume Properties
  Accessible surface: 655.262  Positive charged surface: 284.815  Negative charged surface: 370.447  Volume: 352.375
  Hydrophobic surface: 603.396  Hydrophilic surface: 51.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.