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CHEMDIV-ZINC02716160

 MMsINC code: MMs00885543
Type: Neutral
Formula: C19H11BrN2O2
SMILES:   Brc1ccc(nc1)NC(=O)c1c-2c(ccc1)C(=O)c1c-2cccc1
InChI:   InChI=1/C19H11BrN2O2/c20-11-8-9-16(21-10-11)22-19(24)15-7-3-6-14-17(15)12-4-1-2-5-13(12)18(14)23/h1-10H,(H,21,22,24)

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Potential Energy
Epot(MMFF94)=97.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.213 g/mol  logS: -6.35207  SlogP: 4.3078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240228  Sterimol/B1: 2.68218  Sterimol/B2: 2.75226  Sterimol/B3: 3.04055
  Sterimol/B4: 9.18467  Sterimol/L: 15.9991 
 
 Surface and Volume Properties
  Accessible surface: 563.305  Positive charged surface: 256.172  Negative charged surface: 296.594  Volume: 308.375
  Hydrophobic surface: 473.741  Hydrophilic surface: 89.564
 
 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.