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AURORAFEINCHEMIE-ZINC00755141

 MMsINC code: MMs00447752
Type: Neutral
Formula: C18H12Cl2N4
SMILES:   Clc1ccc(cc1)-c1n[nH]c(c1)-c1n[nH]c(c1)-c1ccc(Cl)cc1
InChI:   InChI=1/C18H12Cl2N4/c19-13-5-1-11(2-6-13)15-9-17(23-21-15)18-10-16(22-24-18)12-3-7-14(20)8-4-12/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=64.3198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.228 g/mol  logS: -6.87988  SlogP: 5.4406  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.50149e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10365  Sterimol/B3: 2.66477
  Sterimol/B4: 5.1528  Sterimol/L: 21.6082 
 
 Surface and Volume Properties
  Accessible surface: 587.479  Positive charged surface: 234.26  Negative charged surface: 353.219  Volume: 314.5
  Hydrophobic surface: 473.306  Hydrophilic surface: 114.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.