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CHEMBLOCK-ZINC00223698

 MMsINC code: MMs00503003
Type: Neutral
Formula: C15H13ClN2O2
SMILES:   Clc1ccc(cc1)CC(=O)N\N=C\c1ccc(O)cc1
InChI:   InChI=1/C15H13ClN2O2/c16-13-5-1-11(2-6-13)9-15(20)18-17-10-12-3-7-14(19)8-4-12/h1-8,10,19H,9H2,(H,18,20)/b17-10+

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Potential Energy
Epot(MMFF94)=77.3602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.734 g/mol  logS: -3.97196  SlogP: 2.73837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394008  Sterimol/B1: 2.42956  Sterimol/B2: 3.75994  Sterimol/B3: 4.39484
  Sterimol/B4: 4.85155  Sterimol/L: 18.0718 
 
 Surface and Volume Properties
  Accessible surface: 543.218  Positive charged surface: 293.367  Negative charged surface: 249.851  Volume: 265.125
  Hydrophobic surface: 413.948  Hydrophilic surface: 129.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.