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CHEMBRIDGE-ZINC02880270

 MMsINC code: MMs00733359
Type: Neutral
Formula: C13H11BrN2O3
SMILES:   Brc1oc(cc1)C(=O)NCC(=O)Nc1ccccc1
InChI:   InChI=1/C13H11BrN2O3/c14-11-7-6-10(19-11)13(18)15-8-12(17)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=51.7232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.146 g/mol  logS: -4.68066  SlogP: 2.4106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150673  Sterimol/B1: 2.75491  Sterimol/B2: 2.86116  Sterimol/B3: 4.45671
  Sterimol/B4: 5.07294  Sterimol/L: 16.5484 
 
 Surface and Volume Properties
  Accessible surface: 521.68  Positive charged surface: 246.876  Negative charged surface: 274.804  Volume: 255.25
  Hydrophobic surface: 415.951  Hydrophilic surface: 105.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.