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ASINEX-ZINC01426067

 MMsINC code: MMs00254225
Type: Neutral
Formula: C13H12ClN3O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OC)nc2)ccc1
InChI:   InChI=1/C13H12ClN3O2/c1-19-12-6-5-11(8-15-12)17-13(18)16-10-4-2-3-9(14)7-10/h2-8H,1H3,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=55.7147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.711 g/mol  logS: -3.08984  SlogP: 3.3876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356896  Sterimol/B1: 2.64702  Sterimol/B2: 3.4863  Sterimol/B3: 3.56295
  Sterimol/B4: 4.00681  Sterimol/L: 17.7085 
 
 Surface and Volume Properties
  Accessible surface: 500.556  Positive charged surface: 309.483  Negative charged surface: 191.073  Volume: 249.375
  Hydrophobic surface: 416.029  Hydrophilic surface: 84.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.