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ACROSORGANICS-ZINC03861386

 MMsINC code: MMs00015885
Type: Neutral
Formula: C8H4Cl4N2
SMILES:   Clc1cc2nc([nH]c2cc1)C(Cl)(Cl)Cl
InChI:   InChI=1/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)

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Potential Energy
Epot(MMFF94)=27.5648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.946 g/mol  logS: -4.75201  SlogP: 4.3545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036744  Sterimol/B1: 3.21338  Sterimol/B2: 3.24423  Sterimol/B3: 3.68714
  Sterimol/B4: 4.73809  Sterimol/L: 12.3056 
 
 Surface and Volume Properties
  Accessible surface: 415.204  Positive charged surface: 95.7166  Negative charged surface: 319.487  Volume: 197.625
  Hydrophobic surface: 201.554  Hydrophilic surface: 213.65
 
 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


MMs00015886
ACROSORGANICS-ZINC03861386