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CHEMBRIDGE-ZINC01055357

 MMsINC code: MMs00654488
Type: Neutral
Formula: C17H11BrF2N2O2
SMILES:   Brc1cc(F)cc(F)c1NC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C17H11BrF2N2O2/c1-9-14(15(22-24-9)10-5-3-2-4-6-10)17(23)21-16-12(18)7-11(19)8-13(16)20/h2-8H,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=91.2603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.187 g/mol  logS: -6.39014  SlogP: 4.94302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365008  Sterimol/B1: 2.45137  Sterimol/B2: 2.93311  Sterimol/B3: 3.20219
  Sterimol/B4: 9.07865  Sterimol/L: 14.2261 
 
 Surface and Volume Properties
  Accessible surface: 527.555  Positive charged surface: 210.442  Negative charged surface: 317.113  Volume: 301.625
  Hydrophobic surface: 461.005  Hydrophilic surface: 66.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.