Drug ID:   | NPD1794 |
Drug Name:   | Alprenolol |
Molecular Formula:   | C15H23NO2 |
Canonical SMILES:   | C=CCc1ccccc1OCC(CNC(C)C)O |
Standard InCHI:   | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 |
Standard InCHIKey:   | PAZJSJFMUHDSTF-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; DrugBank; IUPHAR/BPS |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 1.0 | NPC136112 |
High Similarity | 1.0 | NPC141739 |
High Similarity | 0.9667 | NPC320242 |
High Similarity | 0.9206 | NPC97870 |
High Similarity | 0.9206 | NPC307123 |
High Similarity | 0.9206 | NPC247018 |
High Similarity | 0.9147 | NPC318591 |
High Similarity | 0.9147 | NPC231163 |
Intermediate Similarity | 0.8382 | NPC204546 |
Intermediate Similarity | 0.813 | NPC26524 |
Intermediate Similarity | 0.8083 | NPC194034 |
Intermediate Similarity | 0.8 | NPC328267 |
Intermediate Similarity | 0.7787 | NPC186469 |
Intermediate Similarity | 0.7724 | NPC97811 |
Intermediate Similarity | 0.771 | NPC211992 |
Intermediate Similarity | 0.7686 | NPC108875 |
Intermediate Similarity | 0.7686 | NPC38079 |
Intermediate Similarity | 0.7652 | NPC298486 |
Intermediate Similarity | 0.7623 | NPC470393 |
Intermediate Similarity | 0.76 | NPC46844 |
Intermediate Similarity | 0.7578 | NPC10286 |
Intermediate Similarity | 0.7578 | NPC213 |
Intermediate Similarity | 0.754 | NPC21890 |
Intermediate Similarity | 0.7521 | NPC51633 |
Intermediate Similarity | 0.752 | NPC24777 |
Intermediate Similarity | 0.7483 | NPC160931 |
Intermediate Similarity | 0.7483 | NPC37205 |
Intermediate Similarity | 0.748 | NPC115379 |
Intermediate Similarity | 0.748 | NPC42383 |
Intermediate Similarity | 0.7464 | NPC329595 |
Intermediate Similarity | 0.7464 | NPC326599 |
Intermediate Similarity | 0.7462 | NPC137096 |
Intermediate Similarity | 0.7459 | NPC192596 |
Intermediate Similarity | 0.7417 | NPC313918 |
Intermediate Similarity | 0.7417 | NPC95755 |
Intermediate Similarity | 0.741 | NPC274732 |
Intermediate Similarity | 0.7405 | NPC329980 |
Intermediate Similarity | 0.7398 | NPC304761 |
Intermediate Similarity | 0.7398 | NPC150254 |
Intermediate Similarity | 0.7398 | NPC147000 |
Intermediate Similarity | 0.7398 | NPC226778 |
Intermediate Similarity | 0.7385 | NPC290470 |
Intermediate Similarity | 0.7385 | NPC154256 |
Intermediate Similarity | 0.7368 | NPC473875 |
Intermediate Similarity | 0.736 | NPC251306 |
Intermediate Similarity | 0.7355 | NPC100870 |
Intermediate Similarity | 0.7333 | NPC140359 |
Intermediate Similarity | 0.7333 | NPC255253 |
Intermediate Similarity | 0.7333 | NPC13020 |
Intermediate Similarity | 0.7328 | NPC120075 |
Intermediate Similarity | 0.7323 | NPC95977 |
Intermediate Similarity | 0.7302 | NPC146530 |
Intermediate Similarity | 0.7293 | NPC263835 |
Intermediate Similarity | 0.7293 | NPC321133 |
Intermediate Similarity | 0.7292 | NPC83289 |
Intermediate Similarity | 0.7292 | NPC189724 |
Intermediate Similarity | 0.7292 | NPC212850 |
Intermediate Similarity | 0.729 | NPC469479 |
Intermediate Similarity | 0.7287 | NPC301735 |
Intermediate Similarity | 0.7286 | NPC208757 |
Intermediate Similarity | 0.7285 | NPC203424 |
Intermediate Similarity | 0.7285 | NPC206372 |
Intermediate Similarity | 0.7273 | NPC283616 |
Intermediate Similarity | 0.7266 | NPC55300 |
Intermediate Similarity | 0.7266 | NPC166837 |
Intermediate Similarity | 0.7239 | NPC475529 |
Intermediate Similarity | 0.7237 | NPC477564 |
Intermediate Similarity | 0.7237 | NPC2295 |
Intermediate Similarity | 0.7237 | NPC233926 |
Intermediate Similarity | 0.7236 | NPC327226 |
Intermediate Similarity | 0.7226 | NPC158900 |
Intermediate Similarity | 0.7218 | NPC256369 |
Intermediate Similarity | 0.7209 | NPC165646 |
Intermediate Similarity | 0.7206 | NPC474130 |
Intermediate Similarity | 0.7203 | NPC318429 |
Intermediate Similarity | 0.72 | NPC473855 |
Intermediate Similarity | 0.72 | NPC8302 |
Intermediate Similarity | 0.7188 | NPC137685 |
Intermediate Similarity | 0.7185 | NPC226712 |
Intermediate Similarity | 0.7174 | NPC236347 |
Intermediate Similarity | 0.7174 | NPC322366 |
Intermediate Similarity | 0.7174 | NPC323775 |
Intermediate Similarity | 0.7163 | NPC470392 |
Intermediate Similarity | 0.7153 | NPC253429 |
Intermediate Similarity | 0.7153 | NPC62101 |
Intermediate Similarity | 0.7153 | NPC95733 |
Intermediate Similarity | 0.7152 | NPC47672 |
Intermediate Similarity | 0.7143 | NPC326801 |
Intermediate Similarity | 0.7143 | NPC262641 |
Intermediate Similarity | 0.7143 | NPC101503 |
Intermediate Similarity | 0.7143 | NPC5932 |
Intermediate Similarity | 0.7134 | NPC124433 |
Intermediate Similarity | 0.7134 | NPC293871 |
Intermediate Similarity | 0.7133 | NPC264956 |
Intermediate Similarity | 0.7132 | NPC204535 |
Intermediate Similarity | 0.7132 | NPC195873 |
Intermediate Similarity | 0.7132 | NPC46586 |
Intermediate Similarity | 0.7132 | NPC71090 |
Intermediate Similarity | 0.7122 | NPC198798 |
Intermediate Similarity | 0.7114 | NPC245974 |
Intermediate Similarity | 0.7111 | NPC318357 |
Intermediate Similarity | 0.7109 | NPC474272 |
Intermediate Similarity | 0.7109 | NPC145638 |
Intermediate Similarity | 0.7109 | NPC290566 |
Intermediate Similarity | 0.7101 | NPC29477 |
Intermediate Similarity | 0.7099 | NPC235250 |
Intermediate Similarity | 0.7099 | NPC161696 |
Intermediate Similarity | 0.7095 | NPC247298 |
Intermediate Similarity | 0.7095 | NPC294249 |
Intermediate Similarity | 0.709 | NPC163036 |
Intermediate Similarity | 0.7089 | NPC469505 |
Intermediate Similarity | 0.7087 | NPC233320 |
Intermediate Similarity | 0.7087 | NPC258171 |
Intermediate Similarity | 0.708 | NPC217277 |
Intermediate Similarity | 0.708 | NPC211218 |
Intermediate Similarity | 0.7073 | NPC471576 |
Intermediate Similarity | 0.7071 | NPC283079 |
Intermediate Similarity | 0.7071 | NPC471306 |
Intermediate Similarity | 0.7071 | NPC471321 |
Intermediate Similarity | 0.7068 | NPC164386 |
Intermediate Similarity | 0.7059 | NPC290451 |
Intermediate Similarity | 0.7059 | NPC127389 |
Intermediate Similarity | 0.7055 | NPC477838 |
Intermediate Similarity | 0.7055 | NPC477837 |
Intermediate Similarity | 0.7042 | NPC471953 |
Intermediate Similarity | 0.704 | NPC305205 |
Intermediate Similarity | 0.7037 | NPC60589 |
Intermediate Similarity | 0.7037 | NPC469708 |
Intermediate Similarity | 0.7037 | NPC232295 |
Intermediate Similarity | 0.7034 | NPC474673 |
Intermediate Similarity | 0.7031 | NPC241549 |
Intermediate Similarity | 0.7029 | NPC109822 |
Intermediate Similarity | 0.7029 | NPC48990 |
Intermediate Similarity | 0.7029 | NPC94276 |
Intermediate Similarity | 0.7029 | NPC114901 |
Intermediate Similarity | 0.7029 | NPC293701 |
Intermediate Similarity | 0.7021 | NPC97326 |
Intermediate Similarity | 0.7016 | NPC214200 |
Intermediate Similarity | 0.7016 | NPC228400 |
Intermediate Similarity | 0.7008 | NPC41594 |
Intermediate Similarity | 0.7 | NPC291847 |
Intermediate Similarity | 0.7 | NPC473993 |
Intermediate Similarity | 0.7 | NPC321956 |
Intermediate Similarity | 0.7 | NPC469386 |
Remote Similarity | 0.6993 | NPC160692 |
Remote Similarity | 0.6993 | NPC76213 |
Remote Similarity | 0.6993 | NPC277669 |
Remote Similarity | 0.6992 | NPC303611 |
Remote Similarity | 0.6992 | NPC290515 |
Remote Similarity | 0.6992 | NPC226096 |
Remote Similarity | 0.6992 | NPC108606 |
Remote Similarity | 0.6992 | NPC164514 |
Remote Similarity | 0.6985 | NPC198734 |
Remote Similarity | 0.6985 | NPC83279 |
Remote Similarity | 0.6985 | NPC269242 |
Remote Similarity | 0.6985 | NPC469412 |
Remote Similarity | 0.6978 | NPC194519 |
Remote Similarity | 0.6978 | NPC207179 |
Remote Similarity | 0.6978 | NPC167571 |
Remote Similarity | 0.6978 | NPC470510 |
Remote Similarity | 0.6978 | NPC278552 |
Remote Similarity | 0.6974 | NPC207824 |
Remote Similarity | 0.6974 | NPC60538 |
Remote Similarity | 0.697 | NPC470837 |
Remote Similarity | 0.6966 | NPC470249 |
Remote Similarity | 0.6963 | NPC43275 |
Remote Similarity | 0.6963 | NPC135961 |
Remote Similarity | 0.6963 | NPC311595 |
Remote Similarity | 0.6963 | NPC32152 |
Remote Similarity | 0.6963 | NPC24474 |
Remote Similarity | 0.696 | NPC84325 |
Remote Similarity | 0.6957 | NPC307020 |
Remote Similarity | 0.6953 | NPC227894 |
Remote Similarity | 0.695 | NPC222572 |
Remote Similarity | 0.695 | NPC87224 |
Remote Similarity | 0.6947 | NPC474920 |
Remote Similarity | 0.6947 | NPC266116 |
Remote Similarity | 0.694 | NPC323948 |
Remote Similarity | 0.6934 | NPC470804 |
Remote Similarity | 0.6929 | NPC58607 |
Remote Similarity | 0.6929 | NPC227255 |
Remote Similarity | 0.6929 | NPC178284 |
Remote Similarity | 0.6929 | NPC191037 |
Remote Similarity | 0.6928 | NPC469711 |
Remote Similarity | 0.6923 | NPC88868 |
Remote Similarity | 0.6923 | NPC103799 |
Remote Similarity | 0.6923 | NPC231251 |
Remote Similarity | 0.6923 | NPC25067 |
Remote Similarity | 0.6923 | NPC118419 |
Remote Similarity | 0.6918 | NPC14600 |
Remote Similarity | 0.6918 | NPC312770 |
Remote Similarity | 0.6918 | NPC204848 |
Remote Similarity | 0.6918 | NPC193528 |
Remote Similarity | 0.6918 | NPC160607 |
Remote Similarity | 0.6918 | NPC41473 |
Remote Similarity | 0.6917 | NPC101139 |
Remote Similarity | 0.6917 | NPC303370 |
Remote Similarity | 0.6917 | NPC301321 |
Remote Similarity | 0.6917 | NPC71853 |
Remote Similarity | 0.6912 | NPC471308 |
TTD   | DAP000941 |
DrugBank   | DB00866 |
ChEMBL   | CHEMBL266195 |
IUPHAR/BPS   | 563 |
PharmaGKB   | PA164750541 |
KEGG Drug   | D07156 |
PubChem CID   | 2119 |
ChEBI   | 51211 |
CAS Number   | 13655-52-2 |
Molecular Weight   | 249.17 |
ALogP   | 0.0189 |
MLogP   | 2.78 |
XLogP   | 3.272 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 41.49 |
RO5 Violation   | 0 |