Drug ID:   | NPD367 |
Drug Name:   | Eucalyptol |
Molecular Formula:   | C10H18O |
Canonical SMILES:   | CC12CCC(CC1)C(O2)(C)C |
Standard InCHI:   | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
Standard InCHIKey:   | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | NPC287331 |
High Similarity | 1.0 | NPC302939 |
Intermediate Similarity | 0.7955 | NPC82843 |
Intermediate Similarity | 0.7447 | NPC77550 |
Intermediate Similarity | 0.7447 | NPC108441 |
Intermediate Similarity | 0.7 | NPC316035 |
Remote Similarity | 0.6977 | NPC328441 |
Remote Similarity | 0.6964 | NPC185116 |
Remote Similarity | 0.6852 | NPC300189 |
Remote Similarity | 0.6731 | NPC274261 |
Remote Similarity | 0.6731 | NPC291724 |
Remote Similarity | 0.6727 | NPC170780 |
Remote Similarity | 0.6667 | NPC144891 |
Remote Similarity | 0.6667 | NPC308569 |
Remote Similarity | 0.6667 | NPC469572 |
Remote Similarity | 0.6667 | NPC469582 |
Remote Similarity | 0.66 | NPC84030 |
Remote Similarity | 0.66 | NPC287550 |
Remote Similarity | 0.66 | NPC198540 |
Remote Similarity | 0.66 | NPC223468 |
Remote Similarity | 0.66 | NPC176309 |
Remote Similarity | 0.66 | NPC14552 |
Remote Similarity | 0.66 | NPC147343 |
Remote Similarity | 0.6531 | NPC313795 |
Remote Similarity | 0.6481 | NPC36002 |
Remote Similarity | 0.6481 | NPC102336 |
Remote Similarity | 0.6441 | NPC469573 |
Remote Similarity | 0.6429 | NPC210316 |
Remote Similarity | 0.6364 | NPC202146 |
Remote Similarity | 0.6364 | NPC32222 |
Remote Similarity | 0.6346 | NPC294858 |
Remote Similarity | 0.6316 | NPC236588 |
Remote Similarity | 0.6316 | NPC135438 |
Remote Similarity | 0.629 | NPC42630 |
Remote Similarity | 0.6207 | NPC47663 |
Remote Similarity | 0.6154 | NPC100445 |
Remote Similarity | 0.6154 | NPC13105 |
Remote Similarity | 0.614 | NPC264779 |
Remote Similarity | 0.614 | NPC3025 |
Remote Similarity | 0.614 | NPC179024 |
Remote Similarity | 0.6102 | NPC95958 |
Remote Similarity | 0.6094 | NPC139785 |
Remote Similarity | 0.6087 | NPC177022 |
Remote Similarity | 0.6071 | NPC53209 |
Remote Similarity | 0.6038 | NPC95969 |
Remote Similarity | 0.6038 | NPC127997 |
Remote Similarity | 0.6032 | NPC84562 |
Remote Similarity | 0.6 | NPC84218 |
Remote Similarity | 0.6 | NPC475412 |
Remote Similarity | 0.6 | NPC204173 |
Remote Similarity | 0.5965 | NPC471269 |
Remote Similarity | 0.5938 | NPC476928 |
Remote Similarity | 0.5932 | NPC189290 |
Remote Similarity | 0.5932 | NPC132998 |
Remote Similarity | 0.5932 | NPC162685 |
Remote Similarity | 0.5932 | NPC474769 |
Remote Similarity | 0.5909 | NPC51956 |
Remote Similarity | 0.5909 | NPC5209 |
Remote Similarity | 0.5909 | NPC29005 |
Remote Similarity | 0.5909 | NPC282454 |
Remote Similarity | 0.5902 | NPC282694 |
Remote Similarity | 0.5902 | NPC79576 |
Remote Similarity | 0.5902 | NPC194208 |
Remote Similarity | 0.5873 | NPC474768 |
Remote Similarity | 0.5862 | NPC39068 |
Remote Similarity | 0.5849 | NPC314087 |
Remote Similarity | 0.5833 | NPC221022 |
Remote Similarity | 0.5821 | NPC100586 |
Remote Similarity | 0.5821 | NPC8004 |
Remote Similarity | 0.5821 | NPC109457 |
Remote Similarity | 0.5821 | NPC157777 |
Remote Similarity | 0.5821 | NPC157422 |
Remote Similarity | 0.5821 | NPC127283 |
Remote Similarity | 0.5821 | NPC131506 |
Remote Similarity | 0.5821 | NPC473279 |
Remote Similarity | 0.5818 | NPC474331 |
Remote Similarity | 0.5789 | NPC168518 |
Remote Similarity | 0.5789 | NPC105780 |
Remote Similarity | 0.5763 | NPC7491 |
Remote Similarity | 0.5763 | NPC27853 |
Remote Similarity | 0.5763 | NPC13789 |
Remote Similarity | 0.5763 | NPC101285 |
Remote Similarity | 0.5763 | NPC65786 |
Remote Similarity | 0.5741 | NPC224987 |
Remote Similarity | 0.5738 | NPC478126 |
Remote Similarity | 0.5735 | NPC123122 |
Remote Similarity | 0.5714 | NPC160261 |
Remote Similarity | 0.5714 | NPC215118 |
Remote Similarity | 0.5714 | NPC94897 |
Remote Similarity | 0.5714 | NPC135077 |
Remote Similarity | 0.5714 | NPC469759 |
Remote Similarity | 0.5714 | NPC181255 |
Remote Similarity | 0.5714 | NPC59570 |
Remote Similarity | 0.5714 | NPC179169 |
Remote Similarity | 0.5714 | NPC306195 |
Remote Similarity | 0.5714 | NPC157781 |
Remote Similarity | 0.5714 | NPC45270 |
Remote Similarity | 0.5714 | NPC35519 |
Remote Similarity | 0.5692 | NPC41542 |
Remote Similarity | 0.5667 | NPC475515 |
Remote Similarity | 0.5667 | NPC240206 |
Remote Similarity | 0.5667 | NPC215671 |
Remote Similarity | 0.5667 | NPC87296 |
Remote Similarity | 0.5652 | NPC209666 |
Remote Similarity | 0.5652 | NPC477508 |
Remote Similarity | 0.5652 | NPC31046 |
Remote Similarity | 0.5652 | NPC53868 |
Remote Similarity | 0.5652 | NPC166250 |
Remote Similarity | 0.5652 | NPC200167 |
Remote Similarity | 0.5645 | NPC218585 |
Remote Similarity | 0.5645 | NPC95804 |
Remote Similarity | 0.5645 | NPC148174 |
Remote Similarity | 0.5645 | NPC71460 |
Remote Similarity | 0.5645 | NPC306750 |
Remote Similarity | 0.5645 | NPC185547 |
Remote Similarity | 0.5636 | NPC131623 |
Remote Similarity | 0.5625 | NPC316546 |
Remote Similarity | 0.5625 | NPC260116 |
Remote Similarity | 0.5625 | NPC80463 |
Remote Similarity | 0.5625 | NPC64123 |
Remote Similarity | 0.5625 | NPC19311 |
Remote Similarity | 0.5625 | NPC230047 |
Remote Similarity | 0.5614 | NPC192962 |
Remote Similarity | 0.5614 | NPC161473 |
Remote Similarity | 0.5606 | NPC475786 |
Molecular Weight   | 154.14 |
ALogP   | 1.3109 |
MLogP   | 2.45 |
XLogP   | 2.595 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 9.23 |
RO5 Violation   | 0 |