Drug ID:   | NPD2699 |
Drug Name:   | |
Molecular Formula:   | C17H34O2 |
Canonical SMILES:   | CCCCCCCCCCCCCC(=O)OC(C)C |
Standard InCHI:   | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 |
Standard InCHIKey:   | AXISYYRBXTVTFY-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 | NPC47363 |
High Similarity | 1.0 | NPC287231 |
High Similarity | 0.9512 | NPC236579 |
High Similarity | 0.9512 | NPC203531 |
High Similarity | 0.9024 | NPC161097 |
High Similarity | 0.9024 | NPC256163 |
High Similarity | 0.9024 | NPC40597 |
High Similarity | 0.9024 | NPC12156 |
High Similarity | 0.9024 | NPC250028 |
High Similarity | 0.9024 | NPC149299 |
High Similarity | 0.9024 | NPC165533 |
High Similarity | 0.9024 | NPC28598 |
High Similarity | 0.8913 | NPC55678 |
High Similarity | 0.8889 | NPC106872 |
High Similarity | 0.8864 | NPC52700 |
High Similarity | 0.8864 | NPC63182 |
High Similarity | 0.8864 | NPC105329 |
High Similarity | 0.8864 | NPC145045 |
High Similarity | 0.8837 | NPC317128 |
High Similarity | 0.881 | NPC53541 |
High Similarity | 0.878 | NPC80234 |
High Similarity | 0.878 | NPC223249 |
High Similarity | 0.8723 | NPC287811 |
High Similarity | 0.8667 | NPC324004 |
High Similarity | 0.8667 | NPC328497 |
High Similarity | 0.8667 | NPC326957 |
High Similarity | 0.8636 | NPC273545 |
High Similarity | 0.8537 | NPC201622 |
High Similarity | 0.8537 | NPC305660 |
High Similarity | 0.8537 | NPC54980 |
High Similarity | 0.8537 | NPC22903 |
Intermediate Similarity | 0.8444 | NPC12438 |
Intermediate Similarity | 0.8444 | NPC30195 |
Intermediate Similarity | 0.8333 | NPC219536 |
Intermediate Similarity | 0.8333 | NPC31551 |
Intermediate Similarity | 0.8298 | NPC26253 |
Intermediate Similarity | 0.8293 | NPC128996 |
Intermediate Similarity | 0.82 | NPC320588 |
Intermediate Similarity | 0.82 | NPC23155 |
Intermediate Similarity | 0.82 | NPC469937 |
Intermediate Similarity | 0.82 | NPC53463 |
Intermediate Similarity | 0.8182 | NPC176500 |
Intermediate Similarity | 0.8125 | NPC90904 |
Intermediate Similarity | 0.8049 | NPC80641 |
Intermediate Similarity | 0.8049 | NPC154642 |
Intermediate Similarity | 0.8049 | NPC80396 |
Intermediate Similarity | 0.8 | NPC74845 |
Intermediate Similarity | 0.7959 | NPC314084 |
Intermediate Similarity | 0.7955 | NPC216630 |
Intermediate Similarity | 0.7955 | NPC196924 |
Intermediate Similarity | 0.7955 | NPC171736 |
Intermediate Similarity | 0.7955 | NPC149184 |
Intermediate Similarity | 0.7955 | NPC209970 |
Intermediate Similarity | 0.7955 | NPC307783 |
Intermediate Similarity | 0.7917 | NPC304162 |
Intermediate Similarity | 0.7872 | NPC249754 |
Intermediate Similarity | 0.7826 | NPC469781 |
Intermediate Similarity | 0.7805 | NPC156630 |
Intermediate Similarity | 0.7805 | NPC223374 |
Intermediate Similarity | 0.7805 | NPC196442 |
Intermediate Similarity | 0.7805 | NPC86545 |
Intermediate Similarity | 0.7805 | NPC301398 |
Intermediate Similarity | 0.78 | NPC310746 |
Intermediate Similarity | 0.7778 | NPC67462 |
Intermediate Similarity | 0.7708 | NPC131770 |
Intermediate Similarity | 0.7708 | NPC200618 |
Intermediate Similarity | 0.766 | NPC308301 |
Intermediate Similarity | 0.7561 | NPC154396 |
Intermediate Similarity | 0.7561 | NPC286498 |
Intermediate Similarity | 0.75 | NPC94368 |
Intermediate Similarity | 0.75 | NPC81263 |
Intermediate Similarity | 0.75 | NPC113928 |
Intermediate Similarity | 0.75 | NPC261080 |
Intermediate Similarity | 0.75 | NPC154186 |
Intermediate Similarity | 0.75 | NPC301696 |
Intermediate Similarity | 0.75 | NPC14227 |
Intermediate Similarity | 0.75 | NPC201844 |
Intermediate Similarity | 0.75 | NPC279026 |
Intermediate Similarity | 0.75 | NPC301585 |
Intermediate Similarity | 0.7455 | NPC470363 |
Intermediate Similarity | 0.7447 | NPC8219 |
Intermediate Similarity | 0.74 | NPC305182 |
Intermediate Similarity | 0.7358 | NPC223677 |
Intermediate Similarity | 0.7358 | NPC200845 |
Intermediate Similarity | 0.7358 | NPC128061 |
Intermediate Similarity | 0.7358 | NPC10316 |
Intermediate Similarity | 0.7358 | NPC28779 |
Intermediate Similarity | 0.7317 | NPC322892 |
Intermediate Similarity | 0.7317 | NPC286695 |
Intermediate Similarity | 0.7255 | NPC100096 |
Intermediate Similarity | 0.7234 | NPC255837 |
Intermediate Similarity | 0.7234 | NPC19305 |
Intermediate Similarity | 0.72 | NPC250919 |
Intermediate Similarity | 0.7143 | NPC472019 |
Intermediate Similarity | 0.7143 | NPC57499 |
Intermediate Similarity | 0.7143 | NPC21844 |
Intermediate Similarity | 0.7143 | NPC472020 |
Intermediate Similarity | 0.7143 | NPC226602 |
Intermediate Similarity | 0.7111 | NPC118968 |
Intermediate Similarity | 0.7111 | NPC214610 |
Intermediate Similarity | 0.7111 | NPC294085 |
Intermediate Similarity | 0.7111 | NPC183424 |
Intermediate Similarity | 0.7073 | NPC40965 |
Intermediate Similarity | 0.7073 | NPC12904 |
Intermediate Similarity | 0.7069 | NPC54925 |
Intermediate Similarity | 0.7045 | NPC14608 |
Intermediate Similarity | 0.7021 | NPC129972 |
Intermediate Similarity | 0.7021 | NPC301528 |
Intermediate Similarity | 0.7021 | NPC71317 |
Intermediate Similarity | 0.7018 | NPC229252 |
Intermediate Similarity | 0.7018 | NPC143857 |
Intermediate Similarity | 0.7018 | NPC472021 |
Intermediate Similarity | 0.7 | NPC324793 |
Intermediate Similarity | 0.7 | NPC216130 |
Intermediate Similarity | 0.7 | NPC477878 |
Remote Similarity | 0.6981 | NPC71761 |
Remote Similarity | 0.6981 | NPC39633 |
Remote Similarity | 0.6981 | NPC309606 |
Remote Similarity | 0.6981 | NPC139545 |
Remote Similarity | 0.6977 | NPC289344 |
Remote Similarity | 0.6977 | NPC155872 |
Remote Similarity | 0.6949 | NPC68343 |
Remote Similarity | 0.6949 | NPC328089 |
Remote Similarity | 0.6949 | NPC314103 |
Remote Similarity | 0.6939 | NPC282440 |
Remote Similarity | 0.6897 | NPC201939 |
Remote Similarity | 0.6889 | NPC268826 |
Remote Similarity | 0.6875 | NPC76051 |
Remote Similarity | 0.6842 | NPC17935 |
Remote Similarity | 0.6833 | NPC326651 |
Remote Similarity | 0.6833 | NPC322319 |
Remote Similarity | 0.6833 | NPC325117 |
Remote Similarity | 0.6833 | NPC469926 |
Remote Similarity | 0.6818 | NPC321699 |
Remote Similarity | 0.6818 | NPC155263 |
Remote Similarity | 0.6809 | NPC163746 |
Remote Similarity | 0.6809 | NPC103286 |
Remote Similarity | 0.6792 | NPC161366 |
Remote Similarity | 0.678 | NPC235788 |
Remote Similarity | 0.6744 | NPC139569 |
Remote Similarity | 0.6744 | NPC49615 |
Remote Similarity | 0.6735 | NPC55023 |
Remote Similarity | 0.6727 | NPC228473 |
Remote Similarity | 0.6724 | NPC243532 |
Remote Similarity | 0.6724 | NPC45097 |
Remote Similarity | 0.6721 | NPC135043 |
Remote Similarity | 0.6721 | NPC315525 |
Remote Similarity | 0.6667 | NPC76608 |
Remote Similarity | 0.6667 | NPC149101 |
Remote Similarity | 0.6667 | NPC225318 |
Remote Similarity | 0.6667 | NPC13105 |
Remote Similarity | 0.6667 | NPC16578 |
Remote Similarity | 0.6613 | NPC127091 |
Remote Similarity | 0.6613 | NPC475443 |
Remote Similarity | 0.6613 | NPC473829 |
Remote Similarity | 0.6613 | NPC104537 |
Remote Similarity | 0.6613 | NPC271921 |
Remote Similarity | 0.6613 | NPC22101 |
Remote Similarity | 0.6613 | NPC330426 |
Remote Similarity | 0.6613 | NPC148192 |
Remote Similarity | 0.6613 | NPC206601 |
Remote Similarity | 0.6613 | NPC469925 |
Remote Similarity | 0.661 | NPC320305 |
Remote Similarity | 0.661 | NPC328776 |
Remote Similarity | 0.6604 | NPC262968 |
Remote Similarity | 0.66 | NPC172042 |
Remote Similarity | 0.66 | NPC314679 |
Remote Similarity | 0.6557 | NPC306805 |
Remote Similarity | 0.6557 | NPC476330 |
Remote Similarity | 0.6557 | NPC215987 |
Remote Similarity | 0.6552 | NPC469924 |
Remote Similarity | 0.6545 | NPC289979 |
Remote Similarity | 0.6545 | NPC319589 |
Remote Similarity | 0.6538 | NPC223675 |
Remote Similarity | 0.6522 | NPC316546 |
Remote Similarity | 0.6512 | NPC147054 |
Remote Similarity | 0.6508 | NPC224700 |
Remote Similarity | 0.6508 | NPC48218 |
Remote Similarity | 0.6508 | NPC473559 |
Remote Similarity | 0.6508 | NPC141481 |
Remote Similarity | 0.6508 | NPC324981 |
Remote Similarity | 0.6508 | NPC82315 |
Remote Similarity | 0.6508 | NPC320663 |
Remote Similarity | 0.65 | NPC474552 |
Remote Similarity | 0.6444 | NPC474392 |
Remote Similarity | 0.6444 | NPC134782 |
Remote Similarity | 0.6444 | NPC301919 |
Remote Similarity | 0.6444 | NPC474914 |
Remote Similarity | 0.6429 | NPC168982 |
Remote Similarity | 0.6415 | NPC224227 |
Remote Similarity | 0.6406 | NPC241265 |
Remote Similarity | 0.6406 | NPC473772 |
Remote Similarity | 0.6406 | NPC178541 |
Remote Similarity | 0.6406 | NPC285003 |
Remote Similarity | 0.6406 | NPC317583 |
Remote Similarity | 0.6364 | NPC72722 |
Remote Similarity | 0.6349 | NPC286842 |
Remote Similarity | 0.6346 | NPC68577 |
Remote Similarity | 0.6333 | NPC469922 |
Remote Similarity | 0.6333 | NPC469923 |
TTD   | DIB001893 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 270.26 |
ALogP   | -3.1208 |
MLogP   | 3.11 |
XLogP   | 7.636 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 17 |
TPSA   | 26.3 |
RO5 Violation   | 2 |