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ASINEX-ZINC00850615

 MMsINC code: MMs00192319
Type: Neutral
Formula: C22H15BrN2O3
SMILES:   Brc1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C(=O)Nc1ccccc1C
InChI:   InChI=1/C22H15BrN2O3/c1-13-5-2-3-8-19(13)24-20(26)14-6-4-7-16(11-14)25-21(27)17-10-9-15(23)12-18(17)22(25)28/h2-12H,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=113.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.277 g/mol  logS: -6.97944  SlogP: 4.81042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00931343  Sterimol/B1: 2.23182  Sterimol/B2: 3.46344  Sterimol/B3: 4.05283
  Sterimol/B4: 6.97384  Sterimol/L: 19.2686 
 
 Surface and Volume Properties
  Accessible surface: 642.457  Positive charged surface: 289.364  Negative charged surface: 353.093  Volume: 360.5
  Hydrophobic surface: 543.582  Hydrophilic surface: 98.875
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.