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PUBCHEM-ZINC01176735

 MMsINC code: MMs02783657
Type: Neutral
Formula: C16H10BrClN2O4
SMILES:   Brc1oc(cc1)C(=O)Nc1cc(Cl)c(NC(=O)c2occc2)cc1
InChI:   InChI=1/C16H10BrClN2O4/c17-14-6-5-13(24-14)16(22)19-9-3-4-11(10(18)8-9)20-15(21)12-2-1-7-23-12/h1-8H,(H,19,22)(H,20,21)

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Potential Energy
Epot(MMFF94)=73.7717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.623 g/mol  logS: -6.96394  SlogP: 4.7931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197572  Sterimol/B1: 2.29631  Sterimol/B2: 3.38812  Sterimol/B3: 3.95878
  Sterimol/B4: 5.23523  Sterimol/L: 20.0402 
 
 Surface and Volume Properties
  Accessible surface: 601.436  Positive charged surface: 233.41  Negative charged surface: 368.026  Volume: 309.375
  Hydrophobic surface: 503.922  Hydrophilic surface: 97.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.