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CHEMBRIDGE-ZINC04821483

 MMsINC code: MMs00793669
Type: Neutral
Formula: C19H19N3O3
SMILES:   o1nc(nc1CNC(=O)Cc1ccccc1OC)-c1ccc(cc1)C
InChI:   InChI=1/C19H19N3O3/c1-13-7-9-14(10-8-13)19-21-18(25-22-19)12-20-17(23)11-15-5-3-4-6-16(15)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=90.3593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.379 g/mol  logS: -5.68353  SlogP: 3.17889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225549  Sterimol/B1: 2.70875  Sterimol/B2: 3.94635  Sterimol/B3: 4.01509
  Sterimol/B4: 5.70795  Sterimol/L: 20.4568 
 
 Surface and Volume Properties
  Accessible surface: 635.869  Positive charged surface: 403.284  Negative charged surface: 232.585  Volume: 327.875
  Hydrophobic surface: 532.101  Hydrophilic surface: 103.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.