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PUBCHEM-ZINC00583295

 MMsINC code: MMs02710316
Type: Neutral
Formula: C16H16ClNO2
SMILES:   Clc1cc(cc(OC)c1O)\C=N\c1cc(C)c(cc1)C
InChI:   InChI=1/C16H16ClNO2/c1-10-4-5-13(6-11(10)2)18-9-12-7-14(17)16(19)15(8-12)20-3/h4-9,19H,1-3H3/b18-9+

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Potential Energy
Epot(MMFF94)=79.8146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.762 g/mol  logS: -4.68018  SlogP: 4.42164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346081  Sterimol/B1: 2.76258  Sterimol/B2: 3.22854  Sterimol/B3: 3.79619
  Sterimol/B4: 6.95937  Sterimol/L: 15.5567 
 
 Surface and Volume Properties
  Accessible surface: 549.006  Positive charged surface: 329.082  Negative charged surface: 219.923  Volume: 277.5
  Hydrophobic surface: 481.725  Hydrophilic surface: 67.281
 
 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.