Formula | C15H18N4O |
MW | 270.33 |
InChIKey | KDBWAQAGNMDXDC-BMIGLBTASA-N |
hba | 4 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 1 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.863051 |
logp | 2.1305 |
mw | 270.336 |
molecular_weight | 270.336 |
qed_score | 0.863051 |
tpsa | 63.57 |
s_m_entry_id | 296 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC1(C)[C@@H]2CC[C@@]1(C)c1c2cnn1-c1ccc(=O)[nH]n1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUMB142168 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 39 |
pozicija_v_racku_in_rack | 4D3 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |