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CHEMBRIDGE-ZINC00998645

 MMsINC code: MMs00651342
Type: Neutral
Formula: C15H14BrFN2O2
SMILES:   Brc1oc(cc1)C(=O)N1CCN(CC1)c1ccccc1F
InChI:   InChI=1/C15H14BrFN2O2/c16-14-6-5-13(21-14)15(20)19-9-7-18(8-10-19)12-4-2-1-3-11(12)17/h1-6H,7-10H2

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Potential Energy
Epot(MMFF94)=130.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.191 g/mol  logS: -4.74381  SlogP: 3.1436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976944  Sterimol/B1: 2.53502  Sterimol/B2: 4.99724  Sterimol/B3: 5.05289
  Sterimol/B4: 5.50804  Sterimol/L: 15.5618 
 
 Surface and Volume Properties
  Accessible surface: 535.966  Positive charged surface: 273.876  Negative charged surface: 262.09  Volume: 281.625
  Hydrophobic surface: 489.913  Hydrophilic surface: 46.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.