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CHEMBLOCK-ZINC00058407

 MMsINC code: MMs00491084
Type: Neutral
Formula: C15H14ClNO3
SMILES:   Clc1cc(\N=C\c2cccc(OC)c2O)ccc1OC
InChI:   InChI=1/C15H14ClNO3/c1-19-13-7-6-11(8-12(13)16)17-9-10-4-3-5-14(20-2)15(10)18/h3-9,18H,1-2H3/b17-9+

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Potential Energy
Epot(MMFF94)=89.9267 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: 0.0251838  Sterimol/B1: 2.48138  Sterimol/B2: 3.13647  Sterimol/B3: 3.3691
  Sterimol/B4: 6.28282  Sterimol/L: 16.9886 
 
 Surface and Volume Properties
  Accessible surface: 531.532  Positive charged surface: 346.412  Negative charged surface: 185.12  Volume: 266.875
  Hydrophobic surface: 468.99  Hydrophilic surface: 62.542
 
 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.