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ENAMINE-ZINC02626495

 MMsINC code: MMs01259156
Type: Neutral
Formula: C12H11Cl4N3O2
SMILES:   Clc1c(Cl)c(nc(Cl)c1Cl)C(=O)N1CCC(CC1)C(=O)N
InChI:   InChI=1/C12H11Cl4N3O2/c13-6-7(14)9(18-10(16)8(6)15)12(21)19-3-1-5(2-4-19)11(17)20/h5H,1-4H2,(H2,17,20)

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Potential Energy
Epot(MMFF94)=88.7977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.051 g/mol  logS: -4.15564  SlogP: 3.0327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065792  Sterimol/B1: 3.17118  Sterimol/B2: 3.20885  Sterimol/B3: 3.40037
  Sterimol/B4: 6.72421  Sterimol/L: 14.5958 
 
 Surface and Volume Properties
  Accessible surface: 512.531  Positive charged surface: 225.439  Negative charged surface: 287.092  Volume: 279.375
  Hydrophobic surface: 373.77  Hydrophilic surface: 138.761
 
 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.