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ENAMINE-ZINC03263123

 MMsINC code: MMs01337918
Type: Neutral
Formula: C15H8BrClN2O3
SMILES:   Brc1cc(C(=O)N2C(=O)c3c(cccc3N)C2=O)c(Cl)cc1
InChI:   InChI=1/C15H8BrClN2O3/c16-7-4-5-10(17)9(6-7)14(21)19-13(20)8-2-1-3-11(18)12(8)15(19)22/h1-6H,18H2

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Potential Energy
Epot(MMFF94)=70.0974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.597 g/mol  logS: -5.6355  SlogP: 3.1211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796825  Sterimol/B1: 2.44532  Sterimol/B2: 4.46717  Sterimol/B3: 4.98311
  Sterimol/B4: 6.45732  Sterimol/L: 14.594 
 
 Surface and Volume Properties
  Accessible surface: 517.675  Positive charged surface: 200.81  Negative charged surface: 316.865  Volume: 279.5
  Hydrophobic surface: 379.681  Hydrophilic surface: 137.994
 
 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.