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PUBCHEM-ZINC05906650

 MMsINC code: MMs03438824
Type: Neutral
Formula: C15H22N2O3
SMILES:   O(C)c1cc(ccc1OC)/C(=N\NC(=O)CC(C)C)/C
InChI:   InChI=1/C15H22N2O3/c1-10(2)8-15(18)17-16-11(3)12-6-7-13(19-4)14(9-12)20-5/h6-7,9-10H,8H2,1-5H3,(H,17,18)/b16-11-

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Potential Energy
Epot(MMFF94)=110.444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.352 g/mol  logS: -3.41674  SlogP: 2.5901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725584  Sterimol/B1: 2.23655  Sterimol/B2: 4.57513  Sterimol/B3: 5.31613
  Sterimol/B4: 6.51088  Sterimol/L: 15.7636 
 
 Surface and Volume Properties
  Accessible surface: 559.118  Positive charged surface: 417.415  Negative charged surface: 141.703  Volume: 282.625
  Hydrophobic surface: 449.836  Hydrophilic surface: 109.282
 
 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.