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IBS-ZINC02345305

 MMsINC code: MMs01838573
Type: Neutral
Formula: C10H6Br2ClNO3
SMILES:   BrC(C(=O)N1c2c(OC1=O)cc(Cl)cc2)CBr
InChI:   InChI=1/C10H6Br2ClNO3/c11-4-6(12)9(15)14-7-2-1-5(13)3-8(7)17-10(14)16/h1-3,6H,4H2/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=45.7673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.423 g/mol  logS: -5.36503  SlogP: 3.7637  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0328915  Sterimol/B1: 2.45783  Sterimol/B2: 2.92669  Sterimol/B3: 4.15159
  Sterimol/B4: 5.58848  Sterimol/L: 15.3238 
 
 Surface and Volume Properties
  Accessible surface: 463.176  Positive charged surface: 138.995  Negative charged surface: 324.18  Volume: 242
  Hydrophobic surface: 235.469  Hydrophilic surface: 227.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.