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PUBCHEM-ZINC04549111

 MMsINC code: MMs03132284
Type: Neutral
Formula: C12H7Cl4N3
SMILES:   Clc1cc(NN=Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1
InChI:   InChI=1/C12H7Cl4N3/c13-7-1-8(14)4-11(3-7)17-19-18-12-5-9(15)2-10(16)6-12/h1-6H,(H,17,18)

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Potential Energy
Epot(MMFF94)=32.3544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.021 g/mol  logS: -5.91213  SlogP: 6.411  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.10468e-07  Sterimol/B1: 2.0975  Sterimol/B2: 2.10197  Sterimol/B3: 2.62919
  Sterimol/B4: 6.55054  Sterimol/L: 16.629 
 
 Surface and Volume Properties
  Accessible surface: 530.213  Positive charged surface: 134.482  Negative charged surface: 395.732  Volume: 264.125
  Hydrophobic surface: 507.128  Hydrophilic surface: 23.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.