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CHEMSTAR-ZINC04510599

 MMsINC code: MMs01113735
Type: Neutral
Formula: C16H15ClN2O2
SMILES:   Clc1cc(\C=N\NC(=O)C)c(OCc2ccccc2)cc1
InChI:   InChI=1/C16H15ClN2O2/c1-12(20)19-18-10-14-9-15(17)7-8-16(14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10+

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Potential Energy
Epot(MMFF94)=89.4648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.761 g/mol  logS: -4.33018  SlogP: 3.6554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082537  Sterimol/B1: 2.31925  Sterimol/B2: 3.61629  Sterimol/B3: 3.62063
  Sterimol/B4: 8.0859  Sterimol/L: 15.1594 
 
 Surface and Volume Properties
  Accessible surface: 537.646  Positive charged surface: 310.678  Negative charged surface: 226.968  Volume: 283.625
  Hydrophobic surface: 469.937  Hydrophilic surface: 67.709
 
 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.