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CHEMSTAR-ZINC04510857

 MMsINC code: MMs01113754
Type: Neutral
Formula: C16H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1COc1ccccc1\C=N\NC(=O)C
InChI:   InChI=1/C16H14Cl2N2O2/c1-11(21)20-19-9-12-4-2-3-5-16(12)22-10-13-6-7-14(17)8-15(13)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+

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Potential Energy
Epot(MMFF94)=91.8166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.206 g/mol  logS: -5.06447  SlogP: 4.3088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215273  Sterimol/B1: 2.22033  Sterimol/B2: 2.55265  Sterimol/B3: 2.92396
  Sterimol/B4: 10.67  Sterimol/L: 15.1497 
 
 Surface and Volume Properties
  Accessible surface: 542.368  Positive charged surface: 268.723  Negative charged surface: 273.645  Volume: 298.25
  Hydrophobic surface: 478.394  Hydrophilic surface: 63.974
 
 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.