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CHEMBRIDGE-ZINC00942046

 MMsINC code: MMs00646422
Type: Neutral
Formula: C15H11BrClNO3
SMILES:   Brc1cc(C(OC)=O)c(NC(=O)c2cc(Cl)ccc2)cc1
InChI:   InChI=1/C15H11BrClNO3/c1-21-15(20)12-8-10(16)5-6-13(12)18-14(19)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=74.0737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.614 g/mol  logS: -5.56128  SlogP: 4.1414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362464  Sterimol/B1: 2.05185  Sterimol/B2: 2.34998  Sterimol/B3: 3.86117
  Sterimol/B4: 8.96808  Sterimol/L: 15.211 
 
 Surface and Volume Properties
  Accessible surface: 546.598  Positive charged surface: 249.75  Negative charged surface: 296.848  Volume: 287.375
  Hydrophobic surface: 487.636  Hydrophilic surface: 58.962
 
 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.