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CHEMSTAR-ZINC04545173

 MMsINC code: MMs01116587
Type: Neutral
Formula: C20H17ClN2O3
SMILES:   Clc1ccccc1COc1ccccc1\C=N\NC(=O)c1oc(cc1)C
InChI:   InChI=1/C20H17ClN2O3/c1-14-10-11-19(26-14)20(24)23-22-12-15-6-3-5-9-18(15)25-13-16-7-2-4-8-17(16)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+

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Potential Energy
Epot(MMFF94)=108.276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.82 g/mol  logS: -6.15568  SlogP: 4.85072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130402  Sterimol/B1: 2.5197  Sterimol/B2: 2.95751  Sterimol/B3: 4.58924
  Sterimol/B4: 8.73178  Sterimol/L: 16.5304 
 
 Surface and Volume Properties
  Accessible surface: 614.976  Positive charged surface: 333.885  Negative charged surface: 281.091  Volume: 340.875
  Hydrophobic surface: 544.946  Hydrophilic surface: 70.03
 
 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.