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CHEMBRIDGE-ZINC04992230

 MMsINC code: MMs00823563
Type: Neutral
Formula: C19H15BrN2O2
SMILES:   Brc1ccc(cc1)/C(=N/NC(=O)c1cc2c(cc1O)cccc2)/C
InChI:   InChI=1/C19H15BrN2O2/c1-12(13-6-8-16(20)9-7-13)21-22-19(24)17-10-14-4-2-3-5-15(14)11-18(17)23/h2-11,23H,1H3,(H,22,24)/b21-12-

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Potential Energy
Epot(MMFF94)=122.358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.245 g/mol  logS: -6.45063  SlogP: 4.4619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298895  Sterimol/B1: 2.54017  Sterimol/B2: 3.46997  Sterimol/B3: 3.48561
  Sterimol/B4: 8.89813  Sterimol/L: 14.6757 
 
 Surface and Volume Properties
  Accessible surface: 579.837  Positive charged surface: 266.614  Negative charged surface: 302.989  Volume: 321.5
  Hydrophobic surface: 483.181  Hydrophilic surface: 96.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.