Drug ID:   | NPD1809 |
Drug Name:   | Butylated Hydroxytoluene |
Molecular Formula:   | C15H24O |
Canonical SMILES:   | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
Standard InCHI:   | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
Standard InCHIKey:   | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
Max Developmental Stage Source:   | ChEMBL |
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 | NPC144682 |
High Similarity | 0.9674 | NPC122005 |
High Similarity | 0.9674 | NPC252821 |
High Similarity | 0.9667 | NPC289769 |
High Similarity | 0.957 | NPC225506 |
High Similarity | 0.9438 | NPC70436 |
High Similarity | 0.9355 | NPC77492 |
High Similarity | 0.9348 | NPC8392 |
High Similarity | 0.9239 | NPC152415 |
High Similarity | 0.9239 | NPC316301 |
High Similarity | 0.9239 | NPC27323 |
High Similarity | 0.9231 | NPC306074 |
High Similarity | 0.9231 | NPC204210 |
High Similarity | 0.9175 | NPC219286 |
High Similarity | 0.9175 | NPC99557 |
High Similarity | 0.9158 | NPC211885 |
High Similarity | 0.914 | NPC222146 |
High Similarity | 0.9053 | NPC128723 |
High Similarity | 0.9022 | NPC155908 |
High Similarity | 0.9011 | NPC123273 |
High Similarity | 0.9011 | NPC318325 |
High Similarity | 0.9011 | NPC242240 |
High Similarity | 0.8969 | NPC269212 |
High Similarity | 0.8947 | NPC225464 |
High Similarity | 0.8901 | NPC25493 |
High Similarity | 0.8901 | NPC113460 |
High Similarity | 0.89 | NPC470039 |
High Similarity | 0.8854 | NPC33675 |
High Similarity | 0.8854 | NPC299762 |
High Similarity | 0.8854 | NPC92730 |
High Similarity | 0.8817 | NPC304541 |
High Similarity | 0.8804 | NPC280347 |
High Similarity | 0.8804 | NPC258219 |
High Similarity | 0.8804 | NPC98772 |
High Similarity | 0.8804 | NPC177420 |
High Similarity | 0.8791 | NPC184169 |
High Similarity | 0.8791 | NPC307235 |
High Similarity | 0.8791 | NPC23167 |
High Similarity | 0.8791 | NPC407 |
High Similarity | 0.8788 | NPC138942 |
High Similarity | 0.8776 | NPC168829 |
High Similarity | 0.8725 | NPC13482 |
High Similarity | 0.8723 | NPC55903 |
High Similarity | 0.871 | NPC55561 |
High Similarity | 0.87 | NPC21594 |
High Similarity | 0.87 | NPC271274 |
High Similarity | 0.8687 | NPC288411 |
High Similarity | 0.8681 | NPC197783 |
High Similarity | 0.8681 | NPC155393 |
High Similarity | 0.8673 | NPC252105 |
High Similarity | 0.8673 | NPC51015 |
High Similarity | 0.8641 | NPC176279 |
High Similarity | 0.8641 | NPC260323 |
High Similarity | 0.8632 | NPC128062 |
High Similarity | 0.8617 | NPC270547 |
High Similarity | 0.8614 | NPC228737 |
High Similarity | 0.8614 | NPC151477 |
High Similarity | 0.86 | NPC243677 |
High Similarity | 0.86 | NPC303141 |
High Similarity | 0.8571 | NPC248817 |
High Similarity | 0.8571 | NPC286904 |
High Similarity | 0.8571 | NPC175313 |
High Similarity | 0.8558 | NPC250323 |
High Similarity | 0.8558 | NPC228425 |
High Similarity | 0.8557 | NPC79241 |
High Similarity | 0.8557 | NPC6597 |
High Similarity | 0.8544 | NPC141782 |
High Similarity | 0.8542 | NPC26244 |
High Similarity | 0.8526 | NPC271440 |
Intermediate Similarity | 0.8495 | NPC19680 |
Intermediate Similarity | 0.8462 | NPC124436 |
Intermediate Similarity | 0.8462 | NPC265146 |
Intermediate Similarity | 0.8454 | NPC473388 |
Intermediate Similarity | 0.8454 | NPC312132 |
Intermediate Similarity | 0.8454 | NPC259512 |
Intermediate Similarity | 0.8447 | NPC58865 |
Intermediate Similarity | 0.8438 | NPC245187 |
Intermediate Similarity | 0.8438 | NPC151715 |
Intermediate Similarity | 0.8421 | NPC45040 |
Intermediate Similarity | 0.8416 | NPC47284 |
Intermediate Similarity | 0.8416 | NPC117115 |
Intermediate Similarity | 0.84 | NPC470202 |
Intermediate Similarity | 0.84 | NPC108497 |
Intermediate Similarity | 0.8396 | NPC195922 |
Intermediate Similarity | 0.8384 | NPC72729 |
Intermediate Similarity | 0.8365 | NPC296683 |
Intermediate Similarity | 0.835 | NPC63698 |
Intermediate Similarity | 0.835 | NPC61885 |
Intermediate Similarity | 0.835 | NPC262365 |
Intermediate Similarity | 0.8333 | NPC306884 |
Intermediate Similarity | 0.8333 | NPC310456 |
Intermediate Similarity | 0.8333 | NPC138117 |
Intermediate Similarity | 0.8333 | NPC94139 |
Intermediate Similarity | 0.8333 | NPC53740 |
Intermediate Similarity | 0.8333 | NPC325292 |
Intermediate Similarity | 0.8333 | NPC147284 |
Intermediate Similarity | 0.8333 | NPC477814 |
Intermediate Similarity | 0.8333 | NPC54765 |
Intermediate Similarity | 0.8333 | NPC162314 |
Intermediate Similarity | 0.8333 | NPC3358 |
Intermediate Similarity | 0.8333 | NPC210497 |
Intermediate Similarity | 0.8318 | NPC192948 |
Intermediate Similarity | 0.8318 | NPC35797 |
Intermediate Similarity | 0.8317 | NPC238696 |
Intermediate Similarity | 0.8317 | NPC272029 |
Intermediate Similarity | 0.8317 | NPC120719 |
Intermediate Similarity | 0.8316 | NPC300017 |
Intermediate Similarity | 0.8316 | NPC192 |
Intermediate Similarity | 0.8298 | NPC27974 |
Intermediate Similarity | 0.8286 | NPC151537 |
Intermediate Similarity | 0.8286 | NPC95716 |
Intermediate Similarity | 0.8283 | NPC80027 |
Intermediate Similarity | 0.8269 | NPC471954 |
Intermediate Similarity | 0.8269 | NPC75272 |
Intermediate Similarity | 0.8265 | NPC132271 |
Intermediate Similarity | 0.8265 | NPC292730 |
Intermediate Similarity | 0.8265 | NPC216520 |
Intermediate Similarity | 0.8265 | NPC82664 |
Intermediate Similarity | 0.8252 | NPC320439 |
Intermediate Similarity | 0.8241 | NPC477137 |
Intermediate Similarity | 0.8241 | NPC38893 |
Intermediate Similarity | 0.8241 | NPC308311 |
Intermediate Similarity | 0.8241 | NPC471668 |
Intermediate Similarity | 0.8229 | NPC231150 |
Intermediate Similarity | 0.8224 | NPC268160 |
Intermediate Similarity | 0.8208 | NPC471179 |
Intermediate Similarity | 0.8208 | NPC46940 |
Intermediate Similarity | 0.8208 | NPC98372 |
Intermediate Similarity | 0.82 | NPC248396 |
Intermediate Similarity | 0.82 | NPC48730 |
Intermediate Similarity | 0.82 | NPC129373 |
Intermediate Similarity | 0.819 | NPC44732 |
Intermediate Similarity | 0.819 | NPC224870 |
Intermediate Similarity | 0.8182 | NPC152097 |
Intermediate Similarity | 0.8173 | NPC64586 |
Intermediate Similarity | 0.8173 | NPC95344 |
Intermediate Similarity | 0.8173 | NPC306295 |
Intermediate Similarity | 0.8165 | NPC172219 |
Intermediate Similarity | 0.8165 | NPC304510 |
Intermediate Similarity | 0.8165 | NPC174087 |
Intermediate Similarity | 0.8165 | NPC477136 |
Intermediate Similarity | 0.8163 | NPC313650 |
Intermediate Similarity | 0.8163 | NPC274678 |
Intermediate Similarity | 0.8155 | NPC155072 |
Intermediate Similarity | 0.8155 | NPC469913 |
Intermediate Similarity | 0.8148 | NPC147179 |
Intermediate Similarity | 0.8137 | NPC475225 |
Intermediate Similarity | 0.8137 | NPC119860 |
Intermediate Similarity | 0.8131 | NPC263753 |
Intermediate Similarity | 0.8131 | NPC35344 |
Intermediate Similarity | 0.8131 | NPC141003 |
Intermediate Similarity | 0.8131 | NPC715 |
Intermediate Similarity | 0.8119 | NPC472585 |
Intermediate Similarity | 0.8119 | NPC477685 |
Intermediate Similarity | 0.8119 | NPC471578 |
Intermediate Similarity | 0.8119 | NPC101025 |
Intermediate Similarity | 0.8113 | NPC308689 |
Intermediate Similarity | 0.8113 | NPC4493 |
Intermediate Similarity | 0.8113 | NPC77772 |
Intermediate Similarity | 0.8113 | NPC266937 |
Intermediate Similarity | 0.8113 | NPC476632 |
Intermediate Similarity | 0.8113 | NPC165770 |
Intermediate Similarity | 0.8113 | NPC470770 |
Intermediate Similarity | 0.8113 | NPC225679 |
Intermediate Similarity | 0.8113 | NPC322753 |
Intermediate Similarity | 0.8105 | NPC104216 |
Intermediate Similarity | 0.81 | NPC51333 |
Intermediate Similarity | 0.81 | NPC216468 |
Intermediate Similarity | 0.81 | NPC132078 |
Intermediate Similarity | 0.81 | NPC78119 |
Intermediate Similarity | 0.81 | NPC260775 |
Intermediate Similarity | 0.8095 | NPC314187 |
Intermediate Similarity | 0.8091 | NPC154030 |
Intermediate Similarity | 0.8091 | NPC471671 |
Intermediate Similarity | 0.8081 | NPC202986 |
Intermediate Similarity | 0.8073 | NPC469663 |
Intermediate Similarity | 0.8073 | NPC92 |
Intermediate Similarity | 0.8073 | NPC219112 |
Intermediate Similarity | 0.8073 | NPC308828 |
Intermediate Similarity | 0.8061 | NPC76938 |
Intermediate Similarity | 0.8058 | NPC474839 |
Intermediate Similarity | 0.8056 | NPC12656 |
Intermediate Similarity | 0.8056 | NPC107240 |
Intermediate Similarity | 0.8039 | NPC471228 |
Intermediate Similarity | 0.8039 | NPC235762 |
Intermediate Similarity | 0.8039 | NPC62351 |
Intermediate Similarity | 0.8037 | NPC62867 |
Intermediate Similarity | 0.8037 | NPC286222 |
Intermediate Similarity | 0.8037 | NPC177962 |
Intermediate Similarity | 0.8037 | NPC228988 |
Intermediate Similarity | 0.8037 | NPC43525 |
Intermediate Similarity | 0.8022 | NPC133050 |
Intermediate Similarity | 0.802 | NPC174911 |
Intermediate Similarity | 0.802 | NPC213730 |
Intermediate Similarity | 0.802 | NPC130756 |
Intermediate Similarity | 0.802 | NPC12931 |
Intermediate Similarity | 0.802 | NPC70677 |
Intermediate Similarity | 0.8019 | NPC132720 |
Intermediate Similarity | 0.8018 | NPC93071 |
Intermediate Similarity | 0.8018 | NPC126002 |
Molecular Weight   | 220.18 |
ALogP   | 3.2941 |
MLogP   | 3 |
XLogP   | 5.957 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 20.23 |
RO5 Violation   | 1 |