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CHEMBRIDGE-ZINC00678736

 MMsINC code: MMs00639844
Type: Neutral
Formula: C16H11BrN2O3
SMILES:   Brc1ccccc1C(=O)Nc1cc2c(cc1)C(=O)N(C)C2=O
InChI:   InChI=1/C16H11BrN2O3/c1-19-15(21)10-7-6-9(8-12(10)16(19)22)18-14(20)11-4-2-3-5-13(11)17/h2-8H,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=73.7339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.179 g/mol  logS: -4.99511  SlogP: 2.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154873  Sterimol/B1: 2.98294  Sterimol/B2: 3.01212  Sterimol/B3: 3.4847
  Sterimol/B4: 5.51037  Sterimol/L: 17.0222 
 
 Surface and Volume Properties
  Accessible surface: 526.024  Positive charged surface: 267.935  Negative charged surface: 258.089  Volume: 282.875
  Hydrophobic surface: 415.541  Hydrophilic surface: 110.483
 
 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.