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ASINEX-ZINC00274900

 MMsINC code: MMs00105659
Type: Neutral
Formula: C16H12Cl2N4O
SMILES:   Clc1ccccc1\C=N\NC(=O)c1n2C=C(Cl)C=Cc2nc1C
InChI:   InChI=1/C16H12Cl2N4O/c1-10-15(22-9-12(17)6-7-14(22)20-10)16(23)21-19-8-11-4-2-3-5-13(11)18/h2-9H,1H3,(H,21,23)/b19-8+

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Potential Energy
Epot(MMFF94)=85.1398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.205 g/mol  logS: -4.80042  SlogP: 3.78172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608459  Sterimol/B1: 2.06489  Sterimol/B2: 3.58035  Sterimol/B3: 4.37379
  Sterimol/B4: 9.35764  Sterimol/L: 16.8384 
 
 Surface and Volume Properties
  Accessible surface: 576.166  Positive charged surface: 271.496  Negative charged surface: 304.67  Volume: 300.625
  Hydrophobic surface: 496.821  Hydrophilic surface: 79.345
 
 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.