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NCID-ZINC05664619

 MMsINC code: MMs02485275
Type: Neutral
Formula: C6H6BrFN2O4
SMILES:   BrC1(F)C(OC(=O)C)NC(=O)NC1=O
InChI:   InChI=1/C6H6BrFN2O4/c1-2(11)14-4-6(7,8)3(12)9-5(13)10-4/h4H,1H3,(H2,9,10,12,13)/t4-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-5.33894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.026 g/mol  logS: -1.90992  SlogP: 0.1956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232993  Sterimol/B1: 2.59779  Sterimol/B2: 4.02308  Sterimol/B3: 4.42063
  Sterimol/B4: 5.14948  Sterimol/L: 9.82576 
 
 Surface and Volume Properties
  Accessible surface: 374.544  Positive charged surface: 150.391  Negative charged surface: 224.153  Volume: 170.875
  Hydrophobic surface: 99.3642  Hydrophilic surface: 275.1798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.