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ENAMINE-ZINC03546155

 MMsINC code: MMs01500914
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)c1cc(ccc1C)C
InChI:   InChI=1/C19H23NO4/c1-10-6-7-11(2)15(8-10)16(22)9-24-19(23)18-12(3)17(14(5)21)13(4)20-18/h6-8,14,20-21H,9H2,1-5H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=75.0933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.98193  SlogP: 3.43688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018053  Sterimol/B1: 2.09599  Sterimol/B2: 3.09779  Sterimol/B3: 3.1707
  Sterimol/B4: 7.60585  Sterimol/L: 18.2851 
 
 Surface and Volume Properties
  Accessible surface: 614.69  Positive charged surface: 393.441  Negative charged surface: 221.249  Volume: 327.875
  Hydrophobic surface: 463.913  Hydrophilic surface: 150.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.