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PUBCHEM-ZINC05711411

 MMsINC code: MMs03355381
Type: Neutral
Formula: C6H8BrFN2O3
SMILES:   BrC1(F)C(OCC)NC(=O)NC1=O
InChI:   InChI=1/C6H8BrFN2O3/c1-2-13-4-6(7,8)3(11)9-5(12)10-4/h4H,2H2,1H3,(H2,9,10,11,12)/t4-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.7409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.043 g/mol  logS: -1.96424  SlogP: 0.669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241811  Sterimol/B1: 2.86684  Sterimol/B2: 4.02895  Sterimol/B3: 4.38712
  Sterimol/B4: 4.56193  Sterimol/L: 10.419 
 
 Surface and Volume Properties
  Accessible surface: 378.972  Positive charged surface: 172.482  Negative charged surface: 206.49  Volume: 171
  Hydrophobic surface: 109.281  Hydrophilic surface: 269.691
 
 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.