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PUBCHEM-ZINC00640892

 MMsINC code: MMs02718238
Type: Neutral
Formula: C12H7Cl4N3O
SMILES:   Clc1cc(Cl)c(Cl)cc1NC(=O)Nc1ncc(Cl)cc1
InChI:   InChI=1/C12H7Cl4N3O/c13-6-1-2-11(17-5-6)19-12(20)18-10-4-8(15)7(14)3-9(10)16/h1-5H,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=49.1099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.02 g/mol  logS: -5.24233  SlogP: 5.3392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125757  Sterimol/B1: 2.78957  Sterimol/B2: 2.7899  Sterimol/B3: 4.5115
  Sterimol/B4: 5.62716  Sterimol/L: 16.5585 
 
 Surface and Volume Properties
  Accessible surface: 524.256  Positive charged surface: 189.956  Negative charged surface: 334.3  Volume: 265.75
  Hydrophobic surface: 455.974  Hydrophilic surface: 68.282
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.