pheneticillin   Click here for help

GtoPdb Ligand ID: 12275

Synonyms: alfacilin | Broxil® | feneticillin | phenethicillin
Approved drug
pheneticillin is an approved drug
Compound class: Synthetic organic
Comment: Pheneticillin is a penicillin belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 121.24
Molecular weight 364.11
XLogP 1.89
No. Lipinski's rules broken 0
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Canonical SMILES CC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1
Isomeric SMILES CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Oc1ccccc1
InChI InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1
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Molecular structure representations generated using Open Babel