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ASINEX-ZINC00367545

 MMsINC code: MMs00125026
Type: Neutral
Formula: C17H12Cl2N2O2
SMILES:   Clc1n(nc(C)c1C(Oc1ccc(Cl)cc1)=O)-c1ccccc1
InChI:   InChI=1/C17H12Cl2N2O2/c1-11-15(17(22)23-14-9-7-12(18)8-10-14)16(19)21(20-11)13-5-3-2-4-6-13/h2-10H,1H3

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Potential Energy
Epot(MMFF94)=98.0567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.201 g/mol  logS: -5.74608  SlogP: 4.70672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219836  Sterimol/B1: 2.32973  Sterimol/B2: 2.74161  Sterimol/B3: 3.37783
  Sterimol/B4: 7.34882  Sterimol/L: 18.4944 
 
 Surface and Volume Properties
  Accessible surface: 568.361  Positive charged surface: 228.429  Negative charged surface: 339.933  Volume: 302.25
  Hydrophobic surface: 524.723  Hydrophilic surface: 43.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.