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ASINEX-ZINC00055183

 MMsINC code: MMs00066282
Type: Neutral
Formula: C14H8BrNO3
SMILES:   Brc1cc2c(cc1)C(=O)N(C2=O)c1ccc(O)cc1
InChI:   InChI=1/C14H8BrNO3/c15-8-1-6-11-12(7-8)14(19)16(13(11)18)9-2-4-10(17)5-3-9/h1-7,17H

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Potential Energy
Epot(MMFF94)=66.7333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.126 g/mol  logS: -4.48703  SlogP: 2.9553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00205781  Sterimol/B1: 2.12761  Sterimol/B2: 2.30384  Sterimol/B3: 2.76443
  Sterimol/B4: 5.23046  Sterimol/L: 15.7164 
 
 Surface and Volume Properties
  Accessible surface: 467.613  Positive charged surface: 198.811  Negative charged surface: 268.801  Volume: 241.75
  Hydrophobic surface: 345.329  Hydrophilic surface: 122.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.