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MAYBRIDGE-ZINC01046433

 MMsINC code: MMs02156441
Type: Neutral
Formula: C19H16ClN3O2
SMILES:   Clc1ccc(-n2cccc2\C=N\NC(=O)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C19H16ClN3O2/c1-25-18-10-4-14(5-11-18)19(24)22-21-13-17-3-2-12-23(17)16-8-6-15(20)7-9-16/h2-13H,1H3,(H,22,24)/b21-13+

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Potential Energy
Epot(MMFF94)=111.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.809 g/mol  logS: -4.63683  SlogP: 3.9032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181278  Sterimol/B1: 2.93593  Sterimol/B2: 3.28149  Sterimol/B3: 5.00982
  Sterimol/B4: 7.47692  Sterimol/L: 17.1492 
 
 Surface and Volume Properties
  Accessible surface: 627.494  Positive charged surface: 328.01  Negative charged surface: 299.484  Volume: 330.5
  Hydrophobic surface: 522.568  Hydrophilic surface: 104.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.