Drug ID:   | NPD9494 |
Drug Name:   | |
Molecular Formula:   | C8H8O3 |
Canonical SMILES:   | O=Cc1ccc(c(c1)O)OC |
Standard InCHI:   | InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
Standard InCHIKey:   | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
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 | NPC203719 |
High Similarity | 1.0 | NPC117237 |
High Similarity | 0.9756 | NPC298268 |
High Similarity | 0.9512 | NPC16651 |
High Similarity | 0.9512 | NPC32163 |
High Similarity | 0.9417 | NPC295317 |
High Similarity | 0.9297 | NPC237330 |
High Similarity | 0.9297 | NPC144662 |
High Similarity | 0.9291 | NPC50763 |
High Similarity | 0.9225 | NPC274613 |
High Similarity | 0.9206 | NPC261759 |
High Similarity | 0.9141 | NPC111888 |
High Similarity | 0.9134 | NPC66905 |
High Similarity | 0.9083 | NPC39793 |
High Similarity | 0.9077 | NPC139519 |
High Similarity | 0.907 | NPC283823 |
High Similarity | 0.907 | NPC159418 |
High Similarity | 0.904 | NPC473626 |
High Similarity | 0.8952 | NPC114298 |
High Similarity | 0.8943 | NPC225245 |
High Similarity | 0.8917 | NPC278102 |
High Similarity | 0.8889 | NPC299154 |
High Similarity | 0.888 | NPC164778 |
High Similarity | 0.888 | NPC4181 |
High Similarity | 0.888 | NPC242372 |
High Similarity | 0.888 | NPC257976 |
High Similarity | 0.8872 | NPC325625 |
High Similarity | 0.8837 | NPC285776 |
High Similarity | 0.881 | NPC312404 |
High Similarity | 0.881 | NPC273686 |
High Similarity | 0.879 | NPC158949 |
High Similarity | 0.8788 | NPC208760 |
High Similarity | 0.878 | NPC299406 |
High Similarity | 0.8741 | NPC250597 |
High Similarity | 0.874 | NPC120066 |
High Similarity | 0.873 | NPC474691 |
High Similarity | 0.8699 | NPC212743 |
High Similarity | 0.8696 | NPC9370 |
High Similarity | 0.8696 | NPC287495 |
High Similarity | 0.8682 | NPC304747 |
High Similarity | 0.8672 | NPC179777 |
High Similarity | 0.8667 | NPC4796 |
High Similarity | 0.8657 | NPC125417 |
High Similarity | 0.8657 | NPC112068 |
High Similarity | 0.8657 | NPC110899 |
High Similarity | 0.8657 | NPC25305 |
High Similarity | 0.8657 | NPC95679 |
High Similarity | 0.8623 | NPC275278 |
High Similarity | 0.8618 | NPC150919 |
High Similarity | 0.8615 | NPC226855 |
High Similarity | 0.8605 | NPC5018 |
High Similarity | 0.8605 | NPC281020 |
High Similarity | 0.8605 | NPC276466 |
High Similarity | 0.8605 | NPC123228 |
High Similarity | 0.8605 | NPC123722 |
High Similarity | 0.8605 | NPC158654 |
High Similarity | 0.8605 | NPC151167 |
High Similarity | 0.8603 | NPC326065 |
High Similarity | 0.8603 | NPC138438 |
High Similarity | 0.8603 | NPC908 |
High Similarity | 0.8583 | NPC54626 |
High Similarity | 0.8583 | NPC57879 |
High Similarity | 0.8571 | NPC201777 |
High Similarity | 0.8571 | NPC177291 |
High Similarity | 0.8571 | NPC194416 |
High Similarity | 0.856 | NPC202474 |
High Similarity | 0.8551 | NPC469615 |
High Similarity | 0.8551 | NPC239608 |
High Similarity | 0.8551 | NPC46161 |
High Similarity | 0.8548 | NPC137537 |
High Similarity | 0.8548 | NPC164706 |
High Similarity | 0.8548 | NPC70744 |
High Similarity | 0.8548 | NPC272471 |
High Similarity | 0.8548 | NPC107588 |
High Similarity | 0.854 | NPC84273 |
High Similarity | 0.8527 | NPC154275 |
High Similarity | 0.8527 | NPC303680 |
High Similarity | 0.8527 | NPC84076 |
High Similarity | 0.8527 | NPC276014 |
High Similarity | 0.8527 | NPC90128 |
High Similarity | 0.8516 | NPC30216 |
High Similarity | 0.8507 | NPC204592 |
High Similarity | 0.8504 | NPC286573 |
High Similarity | 0.85 | NPC179309 |
Intermediate Similarity | 0.8492 | NPC204466 |
Intermediate Similarity | 0.8489 | NPC469683 |
Intermediate Similarity | 0.8478 | NPC169214 |
Intermediate Similarity | 0.8478 | NPC229218 |
Intermediate Similarity | 0.8478 | NPC312256 |
Intermediate Similarity | 0.8478 | NPC192597 |
Intermediate Similarity | 0.8478 | NPC176030 |
Intermediate Similarity | 0.8478 | NPC141817 |
Intermediate Similarity | 0.8473 | NPC304622 |
Intermediate Similarity | 0.8467 | NPC50823 |
Intermediate Similarity | 0.8462 | NPC286683 |
Intermediate Similarity | 0.8456 | NPC284409 |
Intermediate Similarity | 0.845 | NPC280767 |
Intermediate Similarity | 0.845 | NPC271985 |
Intermediate Similarity | 0.8444 | NPC324929 |
Intermediate Similarity | 0.8438 | NPC106659 |
Intermediate Similarity | 0.8438 | NPC163083 |
Intermediate Similarity | 0.8438 | NPC160900 |
Intermediate Similarity | 0.8438 | NPC229084 |
Intermediate Similarity | 0.8438 | NPC18984 |
Intermediate Similarity | 0.8433 | NPC155098 |
Intermediate Similarity | 0.843 | NPC78918 |
Intermediate Similarity | 0.843 | NPC139617 |
Intermediate Similarity | 0.8425 | NPC70752 |
Intermediate Similarity | 0.8417 | NPC246358 |
Intermediate Similarity | 0.8417 | NPC7097 |
Intermediate Similarity | 0.8417 | NPC46880 |
Intermediate Similarity | 0.8417 | NPC36108 |
Intermediate Similarity | 0.8417 | NPC233731 |
Intermediate Similarity | 0.8409 | NPC172673 |
Intermediate Similarity | 0.8406 | NPC110419 |
Intermediate Similarity | 0.8374 | NPC252004 |
Intermediate Similarity | 0.8372 | NPC4012 |
Intermediate Similarity | 0.8358 | NPC327410 |
Intermediate Similarity | 0.8358 | NPC475468 |
Intermediate Similarity | 0.8358 | NPC129889 |
Intermediate Similarity | 0.8358 | NPC307006 |
Intermediate Similarity | 0.8357 | NPC300603 |
Intermediate Similarity | 0.8357 | NPC91694 |
Intermediate Similarity | 0.8357 | NPC207732 |
Intermediate Similarity | 0.8357 | NPC142165 |
Intermediate Similarity | 0.8357 | NPC113397 |
Intermediate Similarity | 0.8346 | NPC109083 |
Intermediate Similarity | 0.8346 | NPC224814 |
Intermediate Similarity | 0.8346 | NPC269843 |
Intermediate Similarity | 0.8346 | NPC60962 |
Intermediate Similarity | 0.8346 | NPC14007 |
Intermediate Similarity | 0.8346 | NPC189844 |
Intermediate Similarity | 0.8333 | NPC78987 |
Intermediate Similarity | 0.8333 | NPC82336 |
Intermediate Similarity | 0.8321 | NPC20404 |
Intermediate Similarity | 0.8321 | NPC20287 |
Intermediate Similarity | 0.8321 | NPC12022 |
Intermediate Similarity | 0.8321 | NPC293641 |
Intermediate Similarity | 0.832 | NPC240664 |
Intermediate Similarity | 0.831 | NPC472969 |
Intermediate Similarity | 0.831 | NPC473608 |
Intermediate Similarity | 0.8309 | NPC90431 |
Intermediate Similarity | 0.8308 | NPC53305 |
Intermediate Similarity | 0.8308 | NPC87113 |
Intermediate Similarity | 0.8308 | NPC257589 |
Intermediate Similarity | 0.8298 | NPC160777 |
Intermediate Similarity | 0.8298 | NPC73416 |
Intermediate Similarity | 0.8296 | NPC471110 |
Intermediate Similarity | 0.8296 | NPC45404 |
Intermediate Similarity | 0.8286 | NPC254659 |
Intermediate Similarity | 0.8286 | NPC50954 |
Intermediate Similarity | 0.8286 | NPC473090 |
Intermediate Similarity | 0.8284 | NPC239302 |
Intermediate Similarity | 0.8279 | NPC257124 |
Intermediate Similarity | 0.8279 | NPC173746 |
Intermediate Similarity | 0.8279 | NPC8547 |
Intermediate Similarity | 0.8279 | NPC156840 |
Intermediate Similarity | 0.8276 | NPC131121 |
Intermediate Similarity | 0.8268 | NPC2058 |
Intermediate Similarity | 0.8261 | NPC474784 |
Intermediate Similarity | 0.8258 | NPC278308 |
Intermediate Similarity | 0.8254 | NPC205502 |
Intermediate Similarity | 0.8252 | NPC474903 |
Intermediate Similarity | 0.8252 | NPC476394 |
Intermediate Similarity | 0.8252 | NPC98809 |
Intermediate Similarity | 0.8244 | NPC92207 |
Intermediate Similarity | 0.8244 | NPC127937 |
Intermediate Similarity | 0.8239 | NPC143903 |
Intermediate Similarity | 0.8239 | NPC39361 |
Intermediate Similarity | 0.8239 | NPC226987 |
Intermediate Similarity | 0.8239 | NPC165389 |
Intermediate Similarity | 0.8235 | NPC38101 |
Intermediate Similarity | 0.8231 | NPC246704 |
Intermediate Similarity | 0.8231 | NPC20443 |
Intermediate Similarity | 0.8231 | NPC146886 |
Intermediate Similarity | 0.8231 | NPC60517 |
Intermediate Similarity | 0.8226 | NPC294941 |
Intermediate Similarity | 0.8222 | NPC1321 |
Intermediate Similarity | 0.8222 | NPC304929 |
Intermediate Similarity | 0.8222 | NPC156124 |
Intermediate Similarity | 0.8209 | NPC264145 |
Intermediate Similarity | 0.8207 | NPC289438 |
Intermediate Similarity | 0.8201 | NPC28398 |
Intermediate Similarity | 0.8197 | NPC183648 |
Intermediate Similarity | 0.8195 | NPC94810 |
Intermediate Similarity | 0.8194 | NPC139293 |
Intermediate Similarity | 0.8194 | NPC205054 |
Intermediate Similarity | 0.8194 | NPC142876 |
Intermediate Similarity | 0.8194 | NPC333691 |
Intermediate Similarity | 0.8194 | NPC69430 |
Intermediate Similarity | 0.8194 | NPC200060 |
Intermediate Similarity | 0.8194 | NPC264289 |
Intermediate Similarity | 0.8194 | NPC264550 |
Intermediate Similarity | 0.8194 | NPC40290 |
Intermediate Similarity | 0.8194 | NPC195763 |
Intermediate Similarity | 0.8189 | NPC61779 |
Intermediate Similarity | 0.8182 | NPC469539 |
Intermediate Similarity | 0.8182 | NPC188074 |
Intermediate Similarity | 0.8182 | NPC469540 |
Intermediate Similarity | 0.8182 | NPC125449 |
Molecular Weight   | 152.05 |
ALogP   | -0.7045 |
MLogP   | 2.01 |
XLogP   | 1.04 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 46.53 |
RO5 Violation   | 0 |