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PUBCHEM-ZINC00575525

 MMsINC code: MMs02708198
Type: Neutral
Formula: C15H14ClNO3
SMILES:   Clc1cc(cc(OC)c1O)\C=N\c1ccc(OC)cc1
InChI:   InChI=1/C15H14ClNO3/c1-19-12-5-3-11(4-6-12)17-9-10-7-13(16)15(18)14(8-10)20-2/h3-9,18H,1-2H3/b17-9+

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Potential Energy
Epot(MMFF94)=80.1255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.734 g/mol  logS: -3.78272  SlogP: 3.8134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269441  Sterimol/B1: 2.55186  Sterimol/B2: 3.32168  Sterimol/B3: 3.69739
  Sterimol/B4: 6.77844  Sterimol/L: 16.5515 
 
 Surface and Volume Properties
  Accessible surface: 540.115  Positive charged surface: 348.482  Negative charged surface: 191.633  Volume: 267.75
  Hydrophobic surface: 462.224  Hydrophilic surface: 77.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.