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NCID-ZINC01701899

 MMsINC code: MMs02331322
Type: Neutral
Formula: C14H9Br2NO3
SMILES:   Brc1cc(C(O)=O)c(NC(=O)c2cc(Br)ccc2)cc1
InChI:   InChI=1/C14H9Br2NO3/c15-9-3-1-2-8(6-9)13(18)17-12-5-4-10(16)7-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=64.1496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.038 g/mol  logS: -5.50505  SlogP: 4.1621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019369  Sterimol/B1: 2.11211  Sterimol/B2: 3.36582  Sterimol/B3: 3.57164
  Sterimol/B4: 6.3147  Sterimol/L: 15.6179 
 
 Surface and Volume Properties
  Accessible surface: 524.092  Positive charged surface: 186.405  Negative charged surface: 337.687  Volume: 278.75
  Hydrophobic surface: 412.326  Hydrophilic surface: 111.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02331323
NCID-ZINC01701899