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IBS-ZINC02418595

 MMsINC code: MMs01857655
Type: Neutral
Formula: C18H12Cl2N2O3
SMILES:   Clc1cc(ccc1)-c1oc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C18H12Cl2N2O3/c19-13-6-4-11(5-7-13)17(23)21-22-18(24)16-9-8-15(25-16)12-2-1-3-14(20)10-12/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=80.5071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.211 g/mol  logS: -7.19873  SlogP: 4.3282  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.19329e-07  Sterimol/B1: 2.0989  Sterimol/B2: 2.10229  Sterimol/B3: 2.5491
  Sterimol/B4: 7.59468  Sterimol/L: 21.5492 
 
 Surface and Volume Properties
  Accessible surface: 620.284  Positive charged surface: 249.352  Negative charged surface: 370.932  Volume: 320.875
  Hydrophobic surface: 513.018  Hydrophilic surface: 107.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.