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ASINEX-ZINC04154730

 MMsINC code: MMs00311321
Type: Neutral
Formula: C11H8Cl2N4
SMILES:   Clc1ccccc1\C=N\Nc1nnc(Cl)cc1
InChI:   InChI=1/C11H8Cl2N4/c12-9-4-2-1-3-8(9)7-14-16-11-6-5-10(13)15-17-11/h1-7H,(H,16,17)/b14-7+

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Potential Energy
Epot(MMFF94)=87.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.119 g/mol  logS: -3.83269  SlogP: 3.2294  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.24341e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09898  Sterimol/B3: 3.21051
  Sterimol/B4: 4.80212  Sterimol/L: 15.373 
 
 Surface and Volume Properties
  Accessible surface: 460.116  Positive charged surface: 197.383  Negative charged surface: 262.734  Volume: 225.625
  Hydrophobic surface: 372.507  Hydrophilic surface: 87.609
 
 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.