Formula | C31H38Cl2N4O6 |
MW | 633.57 |
InChIKey | LNTOXWBMUPASFU-VRLWAYGVSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.220127 |
logp | 5.2045 |
mw | 633.573 |
molecular_weight | 633.573 |
qed_score | 0.420127 |
tpsa | 117.28 |
s_m_entry_id | 782 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3c(Cl)cccc3Cl)N2[C@H]1c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325922 |
koda_racka_fkkt | 12 |
koda_viale | NUMB138943 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 27 |
pozicija_v_racku_in_rack | 12D2 |
raziskovalec | Ana Novak |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |