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CHEMBLOCK-ZINC03131195

 MMsINC code: MMs00536998
Type: Neutral
Formula: C18H12Cl2N2O2
SMILES:   Clc1cc(ccc1)C(=O)N\N=C\c1oc(cc1)-c1ccc(Cl)cc1
InChI:   InChI=1/C18H12Cl2N2O2/c19-14-6-4-12(5-7-14)17-9-8-16(24-17)11-21-22-18(23)13-2-1-3-15(20)10-13/h1-11H,(H,22,23)/b21-11+

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Potential Energy
Epot(MMFF94)=87.3266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.212 g/mol  logS: -7.15348  SlogP: 5.0173  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.2397e-07  Sterimol/B1: 2.09858  Sterimol/B2: 2.10202  Sterimol/B3: 3.17108
  Sterimol/B4: 6.98297  Sterimol/L: 19.8198 
 
 Surface and Volume Properties
  Accessible surface: 614.356  Positive charged surface: 260.799  Negative charged surface: 353.557  Volume: 317.625
  Hydrophobic surface: 531.3  Hydrophilic surface: 83.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.