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PUBCHEM-ZINC06923217

 MMsINC code: MMs03903523
Type: Neutral
Formula: C18H14ClN3O3
SMILES:   Clc1cc(ccc1O)C(=O)NNC(=O)c1ccccc1-n1cccc1
InChI:   InChI=1/C18H14ClN3O3/c19-14-11-12(7-8-16(14)23)17(24)20-21-18(25)13-5-1-2-6-15(13)22-9-3-4-10-22/h1-11,23H,(H,20,24)(H,21,25)

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Potential Energy
Epot(MMFF94)=121.117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.781 g/mol  logS: -4.11683  SlogP: 2.9111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182337  Sterimol/B1: 2.56115  Sterimol/B2: 3.09657  Sterimol/B3: 3.42283
  Sterimol/B4: 8.68193  Sterimol/L: 16.6157 
 
 Surface and Volume Properties
  Accessible surface: 597.707  Positive charged surface: 287.595  Negative charged surface: 310.111  Volume: 313.5
  Hydrophobic surface: 448.039  Hydrophilic surface: 149.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.