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ASINEX-ZINC00824845

 MMsINC code: MMs00182475
Type: Neutral
Formula: C20H16Cl2N2O2
SMILES:   Clc1ccc(cc1)C(O)(C(=O)NNc1ccccc1)c1ccc(Cl)cc1
InChI:   InChI=1/C20H16Cl2N2O2/c21-16-10-6-14(7-11-16)20(26,15-8-12-17(22)13-9-15)19(25)24-23-18-4-2-1-3-5-18/h1-13,23,26H,(H,24,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.266 g/mol  logS: -6.0861  SlogP: 4.6841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146677  Sterimol/B1: 3.35839  Sterimol/B2: 4.33571  Sterimol/B3: 5.36157
  Sterimol/B4: 7.81693  Sterimol/L: 16.837 
 
 Surface and Volume Properties
  Accessible surface: 625.432  Positive charged surface: 264.564  Negative charged surface: 360.868  Volume: 344.625
  Hydrophobic surface: 561.946  Hydrophilic surface: 63.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.