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CHEMBRIDGE-ZINC04851072

 MMsINC code: MMs00803021
Type: Neutral
Formula: C19H19N3O4
SMILES:   o1nc(nc1CNC(=O)Cc1ccc(OC)cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C19H19N3O4/c1-24-15-7-3-13(4-8-15)11-17(23)20-12-18-21-19(22-26-18)14-5-9-16(25-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=101.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -5.25999  SlogP: 2.87907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169235  Sterimol/B1: 3.03056  Sterimol/B2: 3.69253  Sterimol/B3: 4.27332
  Sterimol/B4: 4.65031  Sterimol/L: 23.0325 
 
 Surface and Volume Properties
  Accessible surface: 658.276  Positive charged surface: 443.599  Negative charged surface: 214.677  Volume: 332.75
  Hydrophobic surface: 535.555  Hydrophilic surface: 122.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.