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PUBCHEM-ZINC00448750

 MMsINC code: MMs02685605
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1cc(ccc1OC)C(NC(=O)C)c1ccc(OCC)cc1
InChI:   InChI=1/C19H23NO4/c1-5-24-16-9-6-14(7-10-16)19(20-13(2)21)15-8-11-17(22-3)18(12-15)23-4/h6-12,19H,5H2,1-4H3,(H,20,21)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.78462  SlogP: 3.4235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245062  Sterimol/B1: 3.54097  Sterimol/B2: 4.09857  Sterimol/B3: 5.45305
  Sterimol/B4: 8.51662  Sterimol/L: 15.2357 
 
 Surface and Volume Properties
  Accessible surface: 626.214  Positive charged surface: 450.972  Negative charged surface: 175.242  Volume: 333
  Hydrophobic surface: 537.562  Hydrophilic surface: 88.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.