Drug ID:   | NPD845 |
Drug Name:   | Propofol |
Molecular Formula:   | C12H18O |
Canonical SMILES:   | CC(c1cccc(c1O)C(C)C)C |
Standard InCHI:   | InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 |
Standard InCHIKey:   | OLBCVFGFOZPWHH-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; 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 | 0.9663 | NPC289769 |
High Similarity | 0.956 | NPC77492 |
High Similarity | 0.9556 | NPC8392 |
High Similarity | 0.9341 | NPC144682 |
High Similarity | 0.9255 | NPC51015 |
High Similarity | 0.9247 | NPC122005 |
High Similarity | 0.9247 | NPC252821 |
High Similarity | 0.9231 | NPC152415 |
High Similarity | 0.9222 | NPC204210 |
High Similarity | 0.9222 | NPC306074 |
High Similarity | 0.9213 | NPC70436 |
High Similarity | 0.9205 | NPC407 |
High Similarity | 0.9205 | NPC307235 |
High Similarity | 0.9149 | NPC225506 |
High Similarity | 0.914 | NPC6597 |
High Similarity | 0.914 | NPC79241 |
High Similarity | 0.9091 | NPC155393 |
High Similarity | 0.9043 | NPC128723 |
High Similarity | 0.9032 | NPC312132 |
High Similarity | 0.9032 | NPC259512 |
High Similarity | 0.9011 | NPC304541 |
High Similarity | 0.9 | NPC242240 |
High Similarity | 0.9 | NPC123273 |
High Similarity | 0.9 | NPC318325 |
High Similarity | 0.9 | NPC258219 |
High Similarity | 0.8977 | NPC286904 |
High Similarity | 0.8947 | NPC72729 |
High Similarity | 0.8925 | NPC222146 |
High Similarity | 0.8913 | NPC271440 |
High Similarity | 0.8889 | NPC25493 |
High Similarity | 0.8889 | NPC113460 |
High Similarity | 0.8878 | NPC271274 |
High Similarity | 0.8842 | NPC33675 |
High Similarity | 0.8842 | NPC299762 |
High Similarity | 0.8817 | NPC245187 |
High Similarity | 0.8817 | NPC316301 |
High Similarity | 0.8817 | NPC27323 |
High Similarity | 0.8791 | NPC177420 |
High Similarity | 0.8791 | NPC280347 |
High Similarity | 0.8788 | NPC228737 |
High Similarity | 0.8778 | NPC23167 |
High Similarity | 0.8776 | NPC117115 |
High Similarity | 0.8776 | NPC138942 |
High Similarity | 0.8763 | NPC269212 |
High Similarity | 0.8763 | NPC108497 |
High Similarity | 0.8763 | NPC168829 |
High Similarity | 0.871 | NPC55903 |
High Similarity | 0.871 | NPC162314 |
High Similarity | 0.871 | NPC210497 |
High Similarity | 0.871 | NPC306884 |
High Similarity | 0.871 | NPC147284 |
High Similarity | 0.871 | NPC94139 |
High Similarity | 0.871 | NPC3358 |
High Similarity | 0.8696 | NPC55561 |
High Similarity | 0.8696 | NPC192 |
High Similarity | 0.8687 | NPC21594 |
High Similarity | 0.8681 | NPC27974 |
High Similarity | 0.8681 | NPC19680 |
High Similarity | 0.8673 | NPC288411 |
High Similarity | 0.8673 | NPC475225 |
High Similarity | 0.8673 | NPC238696 |
High Similarity | 0.8667 | NPC197783 |
High Similarity | 0.866 | NPC252105 |
High Similarity | 0.8632 | NPC473388 |
High Similarity | 0.8617 | NPC128062 |
High Similarity | 0.8614 | NPC58865 |
High Similarity | 0.8602 | NPC231150 |
High Similarity | 0.8602 | NPC155908 |
High Similarity | 0.86 | NPC151477 |
High Similarity | 0.8586 | NPC99557 |
High Similarity | 0.8586 | NPC219286 |
High Similarity | 0.8586 | NPC243677 |
High Similarity | 0.8586 | NPC303141 |
High Similarity | 0.8571 | NPC471228 |
High Similarity | 0.8571 | NPC235762 |
High Similarity | 0.8571 | NPC184169 |
High Similarity | 0.8557 | NPC248396 |
High Similarity | 0.8557 | NPC129373 |
High Similarity | 0.8557 | NPC211885 |
High Similarity | 0.8557 | NPC48730 |
High Similarity | 0.8556 | NPC248817 |
High Similarity | 0.8556 | NPC175313 |
High Similarity | 0.8542 | NPC152097 |
High Similarity | 0.8542 | NPC225464 |
High Similarity | 0.8529 | NPC296683 |
High Similarity | 0.8529 | NPC13482 |
High Similarity | 0.8526 | NPC26244 |
High Similarity | 0.8515 | NPC470039 |
High Similarity | 0.85 | NPC469913 |
Intermediate Similarity | 0.8485 | NPC475580 |
Intermediate Similarity | 0.8485 | NPC272029 |
Intermediate Similarity | 0.8469 | NPC12221 |
Intermediate Similarity | 0.8454 | NPC260775 |
Intermediate Similarity | 0.8454 | NPC92730 |
Intermediate Similarity | 0.8444 | NPC124436 |
Intermediate Similarity | 0.8444 | NPC265146 |
Intermediate Similarity | 0.8438 | NPC216520 |
Intermediate Similarity | 0.8438 | NPC82664 |
Intermediate Similarity | 0.8438 | NPC292730 |
Intermediate Similarity | 0.8438 | NPC132271 |
Intermediate Similarity | 0.8421 | NPC76938 |
Intermediate Similarity | 0.8421 | NPC151715 |
Intermediate Similarity | 0.8416 | NPC66834 |
Intermediate Similarity | 0.8416 | NPC320439 |
Intermediate Similarity | 0.8409 | NPC133050 |
Intermediate Similarity | 0.8404 | NPC45040 |
Intermediate Similarity | 0.84 | NPC47284 |
Intermediate Similarity | 0.8387 | NPC98772 |
Intermediate Similarity | 0.8384 | NPC470202 |
Intermediate Similarity | 0.8367 | NPC12931 |
Intermediate Similarity | 0.8367 | NPC70677 |
Intermediate Similarity | 0.8367 | NPC174911 |
Intermediate Similarity | 0.8367 | NPC130756 |
Intermediate Similarity | 0.8365 | NPC250323 |
Intermediate Similarity | 0.8365 | NPC228425 |
Intermediate Similarity | 0.8352 | NPC150837 |
Intermediate Similarity | 0.8351 | NPC474073 |
Intermediate Similarity | 0.8351 | NPC156313 |
Intermediate Similarity | 0.8351 | NPC475078 |
Intermediate Similarity | 0.835 | NPC132720 |
Intermediate Similarity | 0.835 | NPC141782 |
Intermediate Similarity | 0.8333 | NPC61885 |
Intermediate Similarity | 0.8333 | NPC262365 |
Intermediate Similarity | 0.8333 | NPC63698 |
Intermediate Similarity | 0.8333 | NPC32714 |
Intermediate Similarity | 0.8333 | NPC64586 |
Intermediate Similarity | 0.8317 | NPC53740 |
Intermediate Similarity | 0.8317 | NPC310456 |
Intermediate Similarity | 0.8317 | NPC54765 |
Intermediate Similarity | 0.8316 | NPC325292 |
Intermediate Similarity | 0.8316 | NPC29373 |
Intermediate Similarity | 0.8316 | NPC138117 |
Intermediate Similarity | 0.8298 | NPC47950 |
Intermediate Similarity | 0.8298 | NPC300017 |
Intermediate Similarity | 0.8286 | NPC715 |
Intermediate Similarity | 0.8283 | NPC477685 |
Intermediate Similarity | 0.8269 | NPC151537 |
Intermediate Similarity | 0.8269 | NPC176279 |
Intermediate Similarity | 0.8269 | NPC77772 |
Intermediate Similarity | 0.8269 | NPC470770 |
Intermediate Similarity | 0.8269 | NPC469912 |
Intermediate Similarity | 0.8269 | NPC95716 |
Intermediate Similarity | 0.8269 | NPC260323 |
Intermediate Similarity | 0.8269 | NPC266937 |
Intermediate Similarity | 0.8265 | NPC80027 |
Intermediate Similarity | 0.8252 | NPC75272 |
Intermediate Similarity | 0.8252 | NPC471954 |
Intermediate Similarity | 0.8242 | NPC474354 |
Intermediate Similarity | 0.8211 | NPC270547 |
Intermediate Similarity | 0.8208 | NPC195922 |
Intermediate Similarity | 0.819 | NPC177962 |
Intermediate Similarity | 0.819 | NPC46940 |
Intermediate Similarity | 0.819 | NPC62867 |
Intermediate Similarity | 0.819 | NPC302371 |
Intermediate Similarity | 0.819 | NPC471179 |
Intermediate Similarity | 0.8173 | NPC44732 |
Intermediate Similarity | 0.8155 | NPC11554 |
Intermediate Similarity | 0.8155 | NPC68260 |
Intermediate Similarity | 0.8155 | NPC95344 |
Intermediate Similarity | 0.8155 | NPC306295 |
Intermediate Similarity | 0.8155 | NPC279887 |
Intermediate Similarity | 0.8152 | NPC474211 |
Intermediate Similarity | 0.8144 | NPC246679 |
Intermediate Similarity | 0.8144 | NPC313650 |
Intermediate Similarity | 0.8144 | NPC274678 |
Intermediate Similarity | 0.8137 | NPC248904 |
Intermediate Similarity | 0.8137 | NPC155072 |
Intermediate Similarity | 0.8132 | NPC304538 |
Intermediate Similarity | 0.8132 | NPC168855 |
Intermediate Similarity | 0.8131 | NPC469719 |
Intermediate Similarity | 0.8119 | NPC119860 |
Intermediate Similarity | 0.8119 | NPC323810 |
Intermediate Similarity | 0.8119 | NPC244513 |
Intermediate Similarity | 0.8119 | NPC227458 |
Intermediate Similarity | 0.8119 | NPC218879 |
Intermediate Similarity | 0.8113 | NPC35344 |
Intermediate Similarity | 0.8113 | NPC141003 |
Intermediate Similarity | 0.81 | NPC80800 |
Intermediate Similarity | 0.8095 | NPC308689 |
Intermediate Similarity | 0.8095 | NPC224527 |
Intermediate Similarity | 0.8095 | NPC4493 |
Intermediate Similarity | 0.8095 | NPC165770 |
Intermediate Similarity | 0.8095 | NPC225679 |
Intermediate Similarity | 0.8095 | NPC54373 |
Intermediate Similarity | 0.8095 | NPC476632 |
Intermediate Similarity | 0.8085 | NPC104216 |
Intermediate Similarity | 0.8081 | NPC51333 |
Intermediate Similarity | 0.8081 | NPC132078 |
Intermediate Similarity | 0.8081 | NPC216468 |
Intermediate Similarity | 0.8081 | NPC78119 |
Intermediate Similarity | 0.8077 | NPC26013 |
Intermediate Similarity | 0.8077 | NPC314187 |
Intermediate Similarity | 0.8077 | NPC186385 |
Intermediate Similarity | 0.8077 | NPC299568 |
Intermediate Similarity | 0.8077 | NPC282855 |
Intermediate Similarity | 0.8061 | NPC202986 |
Intermediate Similarity | 0.8061 | NPC283711 |
Intermediate Similarity | 0.8058 | NPC204901 |
Intermediate Similarity | 0.8058 | NPC232523 |
Intermediate Similarity | 0.8058 | NPC158253 |
Molecular Weight   | 178.14 |
ALogP   | 0.6855 |
MLogP   | 2.67 |
XLogP   | 4.422 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 20.23 |
RO5 Violation   | 0 |