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PUBCHEM-ZINC05906642

 MMsINC code: MMs03438823
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(C)c1cc(ccc1O)/C(=N\NC(=O)CC(C)C)/C
InChI:   InChI=1/C14H20N2O3/c1-9(2)7-14(18)16-15-10(3)11-5-6-12(17)13(8-11)19-4/h5-6,8-9,17H,7H2,1-4H3,(H,16,18)/b15-10-

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Potential Energy
Epot(MMFF94)=99.6266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -3.00441  SlogP: 2.2871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673739  Sterimol/B1: 2.32839  Sterimol/B2: 4.39111  Sterimol/B3: 4.82798
  Sterimol/B4: 5.5647  Sterimol/L: 15.8569 
 
 Surface and Volume Properties
  Accessible surface: 531.776  Positive charged surface: 374.06  Negative charged surface: 157.716  Volume: 266.875
  Hydrophobic surface: 381.588  Hydrophilic surface: 150.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.