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ASINEX-ZINC00289544

 MMsINC code: MMs00110063
Type: Neutral
Formula: C14H10Cl2N4
SMILES:   Clc1cc(Cl)ccc1Cn1nc(nn1)-c1ccccc1
InChI:   InChI=1/C14H10Cl2N4/c15-12-7-6-11(13(16)8-12)9-20-18-14(17-19-20)10-4-2-1-3-5-10/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=64.4768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.168 g/mol  logS: -5.15161  SlogP: 3.9616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940289  Sterimol/B1: 3.51219  Sterimol/B2: 3.91528  Sterimol/B3: 4.45228
  Sterimol/B4: 5.53972  Sterimol/L: 15.3312 
 
 Surface and Volume Properties
  Accessible surface: 519.942  Positive charged surface: 217.952  Negative charged surface: 301.989  Volume: 263.5
  Hydrophobic surface: 457.471  Hydrophilic surface: 62.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.