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ASINEX-ZINC00777885

 MMsINC code: MMs00157698
Type: Neutral
Formula: C13H10Br2N2O
SMILES:   Brc1ccccc1NC(=O)Nc1cc(Br)ccc1
InChI:   InChI=1/C13H10Br2N2O/c14-9-4-3-5-10(8-9)16-13(18)17-12-7-2-1-6-11(12)15/h1-8H,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=55.8503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.044 g/mol  logS: -5.43283  SlogP: 4.8556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417861  Sterimol/B1: 2.46406  Sterimol/B2: 2.8486  Sterimol/B3: 4.1202
  Sterimol/B4: 6.39707  Sterimol/L: 15.5608 
 
 Surface and Volume Properties
  Accessible surface: 508.73  Positive charged surface: 193.774  Negative charged surface: 314.956  Volume: 265.125
  Hydrophobic surface: 460.57  Hydrophilic surface: 48.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.