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IBS-ZINC05451497

 MMsINC code: MMs01948249
Type: Neutral
Formula: C19H19N3O4
SMILES:   O(C)c1cc(OC)ccc1NC(=O)c1n[nH]c(c1)-c1cccc(C)c1O
InChI:   InChI=1/C19H19N3O4/c1-11-5-4-6-13(18(11)23)15-10-16(22-21-15)19(24)20-14-8-7-12(25-2)9-17(14)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)

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Potential Energy
Epot(MMFF94)=112.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -4.23829  SlogP: 3.36022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146552  Sterimol/B1: 2.56965  Sterimol/B2: 3.67588  Sterimol/B3: 4.79279
  Sterimol/B4: 5.83554  Sterimol/L: 20.0014 
 
 Surface and Volume Properties
  Accessible surface: 629.247  Positive charged surface: 436.589  Negative charged surface: 192.658  Volume: 330.875
  Hydrophobic surface: 480.326  Hydrophilic surface: 148.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.