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CHEMBLOCK-ZINC00060204

 MMsINC code: MMs00491921
Type: Neutral
Formula: C15H13Cl2N
SMILES:   Clc1cccc(Cl)c1\C=N\c1ccc(cc1C)C
InChI:   InChI=1/C15H13Cl2N/c1-10-6-7-15(11(2)8-10)18-9-12-13(16)4-3-5-14(12)17/h3-9H,1-2H3/b18-9+

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Potential Energy
Epot(MMFF94)=63.6614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.182 g/mol  logS: -5.41259  SlogP: 5.36084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409952  Sterimol/B1: 3.23713  Sterimol/B2: 3.62645  Sterimol/B3: 3.9799
  Sterimol/B4: 5.26661  Sterimol/L: 15.1441 
 
 Surface and Volume Properties
  Accessible surface: 491.423  Positive charged surface: 241.037  Negative charged surface: 250.386  Volume: 258.875
  Hydrophobic surface: 483.056  Hydrophilic surface: 8.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.