| Formula | C16H17NO5S |
| MW | 335.37 |
| InChIKey | VTIXBMCNYKZDBQ-JTQLQIEISA-N |
| hba | 7 |
| hbd | 0 |
| lipinski_violations | 0 |
| pains_match | 0 |
| reactivity | 0 |
| rotatable_bonds | 5 |
| veber_rule | 1 |
| b_m_subgroup_collapsed | 0 |
| drug_score | 0.331378 |
| logp | 2.1709 |
| mw | 335.381 |
| molecular_weight | 335.381 |
| qed_score | 0.331378 |
| tpsa | 82.03 |
| s_m_entry_id | 3163 |
| s_m_subgroup_title | test |
| s_m_subgroupid | test |
| nmr_koda | ni NMR podatkov |
| nova_ali_stara_spojina | FKKT-FFA knjiznica |
| smiles | CCOC(=O)C(=CC1=C(C)N=C2SC=C[C@H]2C1=O)C(=O)OCC |
| dodaten_komentar | 0 |
| fizicna_ali_virtualna_spojina | fizicen vzorec |
| koda_racka_1_nunc | NU00329460 |
| koda_racka_fkkt | 43 |
| koda_viale | NUME535536 |
| literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
| lokacija | FKKT hladilnik 1 |
| masa_mg | 42 |
| pozicija_v_racku_in_rack | 43F11 |
| raziskovalec | Branko Stanovnik |
| raziskovalna_skupina | prof. dr. Jurij Svete |
| trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
| velikost_viale | 1 mL |