Drug ID:   | NPD6648 |
Drug Name:   | |
Molecular Formula:   | C26H34O7 |
Canonical SMILES:   | CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O |
Standard InCHI:   | InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1 |
Standard InCHIKey:   | NGGMYCMLYOUNGM-CSDLUJIJSA-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 |
---|---|---|
Intermediate Similarity | 0.8469 | NPC472995 |
Intermediate Similarity | 0.8404 | NPC475087 |
Intermediate Similarity | 0.8367 | NPC469583 |
Intermediate Similarity | 0.8283 | NPC472997 |
Intermediate Similarity | 0.8283 | NPC472996 |
Intermediate Similarity | 0.8235 | NPC11956 |
Intermediate Similarity | 0.82 | NPC472998 |
Intermediate Similarity | 0.82 | NPC120446 |
Intermediate Similarity | 0.819 | NPC181994 |
Intermediate Similarity | 0.8155 | NPC23584 |
Intermediate Similarity | 0.8058 | NPC470972 |
Intermediate Similarity | 0.8 | NPC471206 |
Intermediate Similarity | 0.7961 | NPC472554 |
Intermediate Similarity | 0.7959 | NPC3952 |
Intermediate Similarity | 0.7946 | NPC236918 |
Intermediate Similarity | 0.7946 | NPC156745 |
Intermediate Similarity | 0.7944 | NPC475586 |
Intermediate Similarity | 0.7941 | NPC475068 |
Intermediate Similarity | 0.7921 | NPC57664 |
Intermediate Similarity | 0.7917 | NPC61527 |
Intermediate Similarity | 0.79 | NPC161998 |
Intermediate Similarity | 0.79 | NPC469491 |
Intermediate Similarity | 0.7885 | NPC109195 |
Intermediate Similarity | 0.7885 | NPC472552 |
Intermediate Similarity | 0.7885 | NPC475038 |
Intermediate Similarity | 0.7876 | NPC472759 |
Intermediate Similarity | 0.7876 | NPC475885 |
Intermediate Similarity | 0.7876 | NPC329080 |
Intermediate Similarity | 0.7864 | NPC38855 |
Intermediate Similarity | 0.7864 | NPC16601 |
Intermediate Similarity | 0.7857 | NPC128066 |
Intermediate Similarity | 0.785 | NPC50124 |
Intermediate Similarity | 0.7843 | NPC205143 |
Intermediate Similarity | 0.783 | NPC470980 |
Intermediate Similarity | 0.7798 | NPC17791 |
Intermediate Similarity | 0.7778 | NPC191323 |
Intermediate Similarity | 0.7757 | NPC471205 |
Intermediate Similarity | 0.7748 | NPC73314 |
Intermediate Similarity | 0.7745 | NPC475380 |
Intermediate Similarity | 0.7745 | NPC209297 |
Intermediate Similarity | 0.7742 | NPC471537 |
Intermediate Similarity | 0.7727 | NPC328074 |
Intermediate Similarity | 0.7727 | NPC321272 |
Intermediate Similarity | 0.7727 | NPC317460 |
Intermediate Similarity | 0.7727 | NPC470025 |
Intermediate Similarity | 0.7723 | NPC140277 |
Intermediate Similarity | 0.7708 | NPC160517 |
Intermediate Similarity | 0.7708 | NPC78673 |
Intermediate Similarity | 0.7708 | NPC186155 |
Intermediate Similarity | 0.7706 | NPC177047 |
Intermediate Similarity | 0.7692 | NPC79303 |
Intermediate Similarity | 0.7692 | NPC272223 |
Intermediate Similarity | 0.7692 | NPC271295 |
Intermediate Similarity | 0.7692 | NPC475053 |
Intermediate Similarity | 0.7679 | NPC471127 |
Intermediate Similarity | 0.7679 | NPC234858 |
Intermediate Similarity | 0.7679 | NPC154363 |
Intermediate Similarity | 0.7677 | NPC246028 |
Intermediate Similarity | 0.767 | NPC475446 |
Intermediate Similarity | 0.767 | NPC311241 |
Intermediate Similarity | 0.767 | NPC473244 |
Intermediate Similarity | 0.7664 | NPC51719 |
Intermediate Similarity | 0.766 | NPC474739 |
Intermediate Similarity | 0.7658 | NPC470027 |
Intermediate Similarity | 0.7647 | NPC476720 |
Intermediate Similarity | 0.7647 | NPC276110 |
Intermediate Similarity | 0.7642 | NPC471938 |
Intermediate Similarity | 0.7642 | NPC165608 |
Intermediate Similarity | 0.7632 | NPC472667 |
Intermediate Similarity | 0.7632 | NPC213761 |
Intermediate Similarity | 0.7632 | NPC35171 |
Intermediate Similarity | 0.7629 | NPC298595 |
Intermediate Similarity | 0.7627 | NPC471940 |
Intermediate Similarity | 0.7624 | NPC7349 |
Intermediate Similarity | 0.7611 | NPC10721 |
Intermediate Similarity | 0.7609 | NPC301525 |
Intermediate Similarity | 0.7607 | NPC145238 |
Intermediate Similarity | 0.7596 | NPC72647 |
Intermediate Similarity | 0.7596 | NPC278673 |
Intermediate Similarity | 0.7596 | NPC107806 |
Intermediate Similarity | 0.7593 | NPC474716 |
Intermediate Similarity | 0.7593 | NPC122816 |
Intermediate Similarity | 0.7593 | NPC469558 |
Intermediate Similarity | 0.7579 | NPC474894 |
Intermediate Similarity | 0.7573 | NPC473153 |
Intermediate Similarity | 0.7573 | NPC194132 |
Intermediate Similarity | 0.7573 | NPC211810 |
Intermediate Similarity | 0.7573 | NPC221801 |
Intermediate Similarity | 0.7573 | NPC284194 |
Intermediate Similarity | 0.7573 | NPC471765 |
Intermediate Similarity | 0.757 | NPC194941 |
Intermediate Similarity | 0.757 | NPC471937 |
Intermediate Similarity | 0.7565 | NPC475003 |
Intermediate Similarity | 0.7565 | NPC112936 |
Intermediate Similarity | 0.7551 | NPC311163 |
Intermediate Similarity | 0.7549 | NPC105490 |
Intermediate Similarity | 0.7547 | NPC471914 |
Intermediate Similarity | 0.7545 | NPC472214 |
Intermediate Similarity | 0.7545 | NPC316708 |
Intermediate Similarity | 0.7545 | NPC472215 |
Intermediate Similarity | 0.7544 | NPC146280 |
Intermediate Similarity | 0.7544 | NPC124676 |
Intermediate Similarity | 0.7544 | NPC16701 |
Intermediate Similarity | 0.7542 | NPC471939 |
Intermediate Similarity | 0.7525 | NPC91251 |
Intermediate Similarity | 0.7523 | NPC470024 |
Intermediate Similarity | 0.7523 | NPC38948 |
Intermediate Similarity | 0.7523 | NPC102843 |
Intermediate Similarity | 0.7522 | NPC470793 |
Intermediate Similarity | 0.75 | NPC477090 |
Intermediate Similarity | 0.75 | NPC472757 |
Intermediate Similarity | 0.75 | NPC199099 |
Intermediate Similarity | 0.75 | NPC103088 |
Intermediate Similarity | 0.75 | NPC82876 |
Intermediate Similarity | 0.75 | NPC100912 |
Intermediate Similarity | 0.75 | NPC171126 |
Intermediate Similarity | 0.75 | NPC133450 |
Intermediate Similarity | 0.75 | NPC287668 |
Intermediate Similarity | 0.75 | NPC470975 |
Intermediate Similarity | 0.75 | NPC470979 |
Intermediate Similarity | 0.75 | NPC161560 |
Intermediate Similarity | 0.7478 | NPC278681 |
Intermediate Similarity | 0.7478 | NPC470186 |
Intermediate Similarity | 0.7477 | NPC470026 |
Intermediate Similarity | 0.7477 | NPC194619 |
Intermediate Similarity | 0.7477 | NPC470076 |
Intermediate Similarity | 0.7477 | NPC45897 |
Intermediate Similarity | 0.7477 | NPC474822 |
Intermediate Similarity | 0.7476 | NPC476519 |
Intermediate Similarity | 0.7458 | NPC473709 |
Intermediate Similarity | 0.7458 | NPC473919 |
Intermediate Similarity | 0.7456 | NPC296822 |
Intermediate Similarity | 0.7456 | NPC469684 |
Intermediate Similarity | 0.7456 | NPC157380 |
Intermediate Similarity | 0.7455 | NPC206618 |
Intermediate Similarity | 0.7455 | NPC471934 |
Intermediate Similarity | 0.7455 | NPC469370 |
Intermediate Similarity | 0.7455 | NPC299590 |
Intermediate Similarity | 0.7453 | NPC11974 |
Intermediate Similarity | 0.7451 | NPC162615 |
Intermediate Similarity | 0.7451 | NPC53555 |
Intermediate Similarity | 0.7451 | NPC152778 |
Intermediate Similarity | 0.7451 | NPC205034 |
Intermediate Similarity | 0.7449 | NPC471494 |
Intermediate Similarity | 0.7436 | NPC196130 |
Intermediate Similarity | 0.7434 | NPC472400 |
Intermediate Similarity | 0.7434 | NPC216665 |
Intermediate Similarity | 0.7434 | NPC43213 |
Intermediate Similarity | 0.7431 | NPC469957 |
Intermediate Similarity | 0.7431 | NPC469959 |
Intermediate Similarity | 0.7431 | NPC67321 |
Intermediate Similarity | 0.7431 | NPC266514 |
Intermediate Similarity | 0.7431 | NPC187435 |
Intermediate Similarity | 0.7431 | NPC472263 |
Intermediate Similarity | 0.7431 | NPC109376 |
Intermediate Similarity | 0.7431 | NPC108682 |
Intermediate Similarity | 0.7429 | NPC152480 |
Intermediate Similarity | 0.7426 | NPC209816 |
Intermediate Similarity | 0.7426 | NPC177668 |
Intermediate Similarity | 0.7423 | NPC231601 |
Intermediate Similarity | 0.7423 | NPC471987 |
Intermediate Similarity | 0.7414 | NPC143755 |
Intermediate Similarity | 0.7414 | NPC471128 |
Intermediate Similarity | 0.7414 | NPC145182 |
Intermediate Similarity | 0.7414 | NPC157252 |
Intermediate Similarity | 0.7414 | NPC471126 |
Intermediate Similarity | 0.7411 | NPC42658 |
Intermediate Similarity | 0.7407 | NPC473543 |
Intermediate Similarity | 0.7404 | NPC173329 |
Intermediate Similarity | 0.7404 | NPC16967 |
Intermediate Similarity | 0.7404 | NPC288350 |
Intermediate Similarity | 0.7404 | NPC202833 |
Intermediate Similarity | 0.7404 | NPC165632 |
Intermediate Similarity | 0.74 | NPC93411 |
Intermediate Similarity | 0.7396 | NPC8538 |
Intermediate Similarity | 0.7396 | NPC315731 |
Intermediate Similarity | 0.7396 | NPC184208 |
Intermediate Similarity | 0.7391 | NPC284707 |
Intermediate Similarity | 0.7387 | NPC474586 |
Intermediate Similarity | 0.7387 | NPC253906 |
Intermediate Similarity | 0.7387 | NPC473975 |
Intermediate Similarity | 0.7387 | NPC473843 |
Intermediate Similarity | 0.7387 | NPC473594 |
Intermediate Similarity | 0.7387 | NPC281624 |
Intermediate Similarity | 0.7383 | NPC165578 |
Intermediate Similarity | 0.7383 | NPC214277 |
Intermediate Similarity | 0.7383 | NPC478156 |
Intermediate Similarity | 0.7383 | NPC475091 |
Intermediate Similarity | 0.7379 | NPC472360 |
Intermediate Similarity | 0.7379 | NPC472416 |
Intermediate Similarity | 0.7373 | NPC473802 |
Intermediate Similarity | 0.7368 | NPC139712 |
Intermediate Similarity | 0.7368 | NPC474333 |
Intermediate Similarity | 0.7368 | NPC470075 |
Intermediate Similarity | 0.7368 | NPC477509 |
Intermediate Similarity | 0.7364 | NPC224660 |
Intermediate Similarity | 0.7364 | NPC475263 |
Intermediate Similarity | 0.7364 | NPC94377 |
Intermediate Similarity | 0.7358 | NPC274643 |
Intermediate Similarity | 0.7358 | NPC13743 |
Molecular Weight   | 458.23 |
ALogP   | 2.1703 |
MLogP   | 3.55 |
XLogP   | 3.479 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 16 |
TPSA   | 97.89 |
RO5 Violation   | 1 |