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CHEMDIV-ZINC00423649

 MMsINC code: MMs00850513
Type: Neutral
Formula: C18H15ClN2O3
SMILES:   Clc1cccc(NC(=O)c2noc(c2)-c2ccc(OC)cc2)c1C
InChI:   InChI=1/C18H15ClN2O3/c1-11-14(19)4-3-5-15(11)20-18(22)16-10-17(24-21-16)12-6-8-13(23-2)9-7-12/h3-10H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=101.742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.782 g/mol  logS: -5.49446  SlogP: 4.56432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114678  Sterimol/B1: 2.12083  Sterimol/B2: 2.49768  Sterimol/B3: 3.20315
  Sterimol/B4: 6.65919  Sterimol/L: 20.2344 
 
 Surface and Volume Properties
  Accessible surface: 582.347  Positive charged surface: 313.819  Negative charged surface: 268.527  Volume: 311.125
  Hydrophobic surface: 507.015  Hydrophilic surface: 75.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.