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ASINEX-ZINC00778220

 MMsINC code: MMs00157894
Type: Neutral
Formula: C15H11Cl3N2O2
SMILES:   Clc1cc(Cl)ccc1\C=N\NC(=O)COc1ccc(Cl)cc1
InChI:   InChI=1/C15H11Cl3N2O2/c16-11-3-5-13(6-4-11)22-9-15(21)20-19-8-10-1-2-12(17)7-14(10)18/h1-8H,9H2,(H,20,21)/b19-8+

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Potential Energy
Epot(MMFF94)=98.8004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.624 g/mol  logS: -5.81784  SlogP: 4.1759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00194133  Sterimol/B1: 2.3732  Sterimol/B2: 2.37689  Sterimol/B3: 2.66472
  Sterimol/B4: 5.28305  Sterimol/L: 21.0681 
 
 Surface and Volume Properties
  Accessible surface: 578.987  Positive charged surface: 249.049  Negative charged surface: 329.937  Volume: 297.125
  Hydrophobic surface: 498.363  Hydrophilic surface: 80.624
 
 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.