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CHEMBLOCK-ZINC01064795

 MMsINC code: MMs00512428
Type: Neutral
Formula: C16H11BrN2O3
SMILES:   Brc1cc2c(cc1)C(=O)N(C2=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C16H11BrN2O3/c1-9(20)18-11-3-5-12(6-4-11)19-15(21)13-7-2-10(17)8-14(13)16(19)22/h2-8H,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=82.7098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.179 g/mol  logS: -5.05843  SlogP: 3.2081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00671463  Sterimol/B1: 2.22028  Sterimol/B2: 2.69207  Sterimol/B3: 3.66689
  Sterimol/B4: 4.45515  Sterimol/L: 18.0639 
 
 Surface and Volume Properties
  Accessible surface: 530.156  Positive charged surface: 241.839  Negative charged surface: 288.317  Volume: 282.375
  Hydrophobic surface: 409.465  Hydrophilic surface: 120.691
 
 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.