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IBS-ZINC02443584

 MMsINC code: MMs01866289
Type: Neutral
Formula: C19H19N3O4
SMILES:   O(C)c1cc(OC)ccc1NC(=O)c1[nH]nc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C19H19N3O4/c1-11-4-7-17(23)13(8-11)15-10-16(22-21-15)19(24)20-14-6-5-12(25-2)9-18(14)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)

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Potential Energy
Epot(MMFF94)=105.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -4.55174  SlogP: 3.36022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121708  Sterimol/B1: 2.31049  Sterimol/B2: 3.37392  Sterimol/B3: 4.57574
  Sterimol/B4: 5.67328  Sterimol/L: 20.0495 
 
 Surface and Volume Properties
  Accessible surface: 626.021  Positive charged surface: 424.111  Negative charged surface: 201.91  Volume: 330.5
  Hydrophobic surface: 476.094  Hydrophilic surface: 149.927
 
 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.