Drug ID:   | NPD5910 |
Drug Name:   | |
Molecular Formula:   | C24H27ClN2O3 |
Canonical SMILES:   | Clc1ccc2c(c1)O[C@H](CO2)CNCC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1 |
Standard InCHI:   | InChI=1S/C24H27ClN2O3/c25-18-6-9-22-23(12-18)30-21(15-29-22)14-26-13-16-10-19-7-8-20(11-16)27(19)24(28)17-4-2-1-3-5-17/h1-6,9,12,16,19-21,26H,7-8,10-11,13-15H2/t16?,19-,20+,21-/m0/s1 |
Standard InCHIKey:   | VDQJQKSTXHXBME-DTHFOOOUSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 | 0.7135 | NPC266425 |
Intermediate Similarity | 0.7083 | NPC222524 |
Intermediate Similarity | 0.705 | NPC477258 |
Intermediate Similarity | 0.7021 | NPC471651 |
Intermediate Similarity | 0.7005 | NPC477259 |
Intermediate Similarity | 0.7005 | NPC169387 |
Remote Similarity | 0.6984 | NPC474858 |
Remote Similarity | 0.6891 | NPC329992 |
Remote Similarity | 0.6818 | NPC116007 |
Remote Similarity | 0.68 | NPC208890 |
Remote Similarity | 0.6791 | NPC133817 |
Remote Similarity | 0.6791 | NPC476443 |
Remote Similarity | 0.6774 | NPC471649 |
Remote Similarity | 0.6772 | NPC158900 |
Remote Similarity | 0.6765 | NPC24228 |
Remote Similarity | 0.6757 | NPC119669 |
Remote Similarity | 0.6734 | NPC83511 |
Remote Similarity | 0.6721 | NPC223873 |
Remote Similarity | 0.6717 | NPC473562 |
Remote Similarity | 0.6716 | NPC283207 |
Remote Similarity | 0.6702 | NPC475393 |
Remote Similarity | 0.6701 | NPC329816 |
Remote Similarity | 0.6701 | NPC121400 |
Remote Similarity | 0.6685 | NPC216149 |
Remote Similarity | 0.6685 | NPC225745 |
Remote Similarity | 0.6685 | NPC208170 |
Remote Similarity | 0.6684 | NPC470708 |
Remote Similarity | 0.6683 | NPC102760 |
Remote Similarity | 0.6683 | NPC473007 |
Remote Similarity | 0.6667 | NPC314659 |
Remote Similarity | 0.6667 | NPC27887 |
Remote Similarity | 0.6667 | NPC471650 |
Remote Similarity | 0.665 | NPC215098 |
Remote Similarity | 0.665 | NPC124302 |
Remote Similarity | 0.665 | NPC46744 |
Remote Similarity | 0.665 | NPC35680 |
Remote Similarity | 0.665 | NPC73020 |
Remote Similarity | 0.665 | NPC70290 |
Remote Similarity | 0.665 | NPC14622 |
Remote Similarity | 0.6649 | NPC80129 |
Remote Similarity | 0.6649 | NPC187022 |
Remote Similarity | 0.6629 | NPC99078 |
Remote Similarity | 0.6616 | NPC197335 |
Remote Similarity | 0.6603 | NPC119818 |
Remote Similarity | 0.6603 | NPC202771 |
Remote Similarity | 0.6603 | NPC2173 |
Remote Similarity | 0.6603 | NPC328700 |
Remote Similarity | 0.66 | NPC235194 |
Remote Similarity | 0.6597 | NPC26353 |
Remote Similarity | 0.6595 | NPC214239 |
Remote Similarity | 0.6592 | NPC220923 |
Remote Similarity | 0.6592 | NPC470707 |
Remote Similarity | 0.6592 | NPC252107 |
Remote Similarity | 0.6587 | NPC314100 |
Remote Similarity | 0.6587 | NPC226652 |
Remote Similarity | 0.6587 | NPC72788 |
Remote Similarity | 0.6587 | NPC120671 |
Remote Similarity | 0.6585 | NPC469815 |
Remote Similarity | 0.6585 | NPC469816 |
Remote Similarity | 0.658 | NPC231198 |
Remote Similarity | 0.658 | NPC35345 |
Remote Similarity | 0.6573 | NPC136330 |
Remote Similarity | 0.6573 | NPC255817 |
Remote Similarity | 0.6573 | NPC251454 |
Remote Similarity | 0.6573 | NPC277042 |
Remote Similarity | 0.6573 | NPC196609 |
Remote Similarity | 0.6573 | NPC230698 |
Remote Similarity | 0.6573 | NPC180647 |
Remote Similarity | 0.6573 | NPC205178 |
Remote Similarity | 0.6573 | NPC73883 |
Remote Similarity | 0.657 | NPC71124 |
Remote Similarity | 0.6562 | NPC153631 |
Remote Similarity | 0.6553 | NPC125924 |
Remote Similarity | 0.6552 | NPC473008 |
Remote Similarity | 0.6552 | NPC141440 |
Remote Similarity | 0.6545 | NPC329640 |
Remote Similarity | 0.6544 | NPC38964 |
Remote Similarity | 0.6541 | NPC253883 |
Remote Similarity | 0.6541 | NPC95075 |
Remote Similarity | 0.6541 | NPC90844 |
Remote Similarity | 0.654 | NPC268077 |
Remote Similarity | 0.6538 | NPC5374 |
Remote Similarity | 0.6536 | NPC469808 |
Remote Similarity | 0.6522 | NPC469978 |
Remote Similarity | 0.6517 | NPC167096 |
Remote Similarity | 0.6513 | NPC284842 |
Remote Similarity | 0.651 | NPC135006 |
Remote Similarity | 0.6505 | NPC264938 |
Remote Similarity | 0.6505 | NPC7467 |
Remote Similarity | 0.6505 | NPC230313 |
Remote Similarity | 0.65 | NPC28641 |
Remote Similarity | 0.65 | NPC194359 |
Remote Similarity | 0.65 | NPC220961 |
Remote Similarity | 0.6497 | NPC67978 |
Remote Similarity | 0.6497 | NPC303581 |
Remote Similarity | 0.6497 | NPC118419 |
Remote Similarity | 0.6493 | NPC207971 |
Remote Similarity | 0.649 | NPC100863 |
Remote Similarity | 0.6484 | NPC204546 |
Remote Similarity | 0.6484 | NPC26589 |
Remote Similarity | 0.6484 | NPC82056 |
Remote Similarity | 0.6484 | NPC473444 |
Remote Similarity | 0.6482 | NPC283810 |
Remote Similarity | 0.6479 | NPC478075 |
Remote Similarity | 0.6477 | NPC254700 |
Remote Similarity | 0.6477 | NPC469479 |
Remote Similarity | 0.6471 | NPC469540 |
Remote Similarity | 0.6471 | NPC470088 |
Remote Similarity | 0.6471 | NPC207824 |
Remote Similarity | 0.6471 | NPC237579 |
Remote Similarity | 0.6471 | NPC60538 |
Remote Similarity | 0.6471 | NPC219162 |
Remote Similarity | 0.6471 | NPC469539 |
Remote Similarity | 0.6453 | NPC214629 |
Remote Similarity | 0.6452 | NPC51957 |
Remote Similarity | 0.6452 | NPC16107 |
Remote Similarity | 0.6452 | NPC210437 |
Remote Similarity | 0.6452 | NPC476144 |
Remote Similarity | 0.6452 | NPC106295 |
Remote Similarity | 0.6447 | NPC164608 |
Remote Similarity | 0.6443 | NPC476569 |
Remote Similarity | 0.6443 | NPC233650 |
Remote Similarity | 0.644 | NPC25084 |
Remote Similarity | 0.644 | NPC247639 |
Remote Similarity | 0.644 | NPC146288 |
Remote Similarity | 0.6436 | NPC315542 |
Remote Similarity | 0.6432 | NPC471646 |
Remote Similarity | 0.6432 | NPC308267 |
Remote Similarity | 0.6432 | NPC471647 |
Remote Similarity | 0.6429 | NPC314682 |
Remote Similarity | 0.6422 | NPC162694 |
Remote Similarity | 0.6422 | NPC124626 |
Remote Similarity | 0.6421 | NPC477564 |
Remote Similarity | 0.6421 | NPC2295 |
Remote Similarity | 0.6418 | NPC243454 |
Remote Similarity | 0.6418 | NPC267408 |
Remote Similarity | 0.6418 | NPC475479 |
Remote Similarity | 0.6414 | NPC475215 |
Remote Similarity | 0.6414 | NPC227683 |
Remote Similarity | 0.6414 | NPC108434 |
Remote Similarity | 0.6413 | NPC136860 |
Remote Similarity | 0.6413 | NPC128019 |
Remote Similarity | 0.6413 | NPC476567 |
Remote Similarity | 0.641 | NPC39103 |
Remote Similarity | 0.641 | NPC469505 |
Remote Similarity | 0.641 | NPC121275 |
Remote Similarity | 0.641 | NPC4138 |
Remote Similarity | 0.641 | NPC2770 |
Remote Similarity | 0.641 | NPC247972 |
Remote Similarity | 0.641 | NPC134858 |
Remote Similarity | 0.641 | NPC284183 |
Remote Similarity | 0.6409 | NPC248505 |
Remote Similarity | 0.6409 | NPC95366 |
Remote Similarity | 0.6408 | NPC475597 |
Remote Similarity | 0.6408 | NPC473716 |
Remote Similarity | 0.6402 | NPC76213 |
Remote Similarity | 0.6402 | NPC277669 |
Remote Similarity | 0.6402 | NPC476579 |
Remote Similarity | 0.64 | NPC241704 |
Remote Similarity | 0.64 | NPC85613 |
Remote Similarity | 0.6396 | NPC241055 |
Remote Similarity | 0.6396 | NPC86469 |
Remote Similarity | 0.6396 | NPC473748 |
Remote Similarity | 0.6393 | NPC474915 |
Remote Similarity | 0.6393 | NPC328750 |
Remote Similarity | 0.6393 | NPC213206 |
Remote Similarity | 0.6393 | NPC188163 |
Remote Similarity | 0.6391 | NPC3921 |
Remote Similarity | 0.6389 | NPC11147 |
Remote Similarity | 0.6389 | NPC96406 |
Remote Similarity | 0.6387 | NPC216459 |
Remote Similarity | 0.6387 | NPC41178 |
Remote Similarity | 0.6387 | NPC138487 |
Remote Similarity | 0.6386 | NPC239584 |
Remote Similarity | 0.6382 | NPC4669 |
Remote Similarity | 0.6381 | NPC267414 |
Remote Similarity | 0.6378 | NPC329717 |
Remote Similarity | 0.6377 | NPC254957 |
Remote Similarity | 0.6374 | NPC231572 |
Remote Similarity | 0.6374 | NPC160747 |
Remote Similarity | 0.6369 | NPC132308 |
Remote Similarity | 0.6368 | NPC203424 |
Remote Similarity | 0.6368 | NPC206372 |
Remote Similarity | 0.6368 | NPC26601 |
Remote Similarity | 0.6368 | NPC471073 |
Remote Similarity | 0.6368 | NPC270811 |
Remote Similarity | 0.6364 | NPC474708 |
Remote Similarity | 0.6364 | NPC313327 |
Remote Similarity | 0.6364 | NPC144863 |
Remote Similarity | 0.6359 | NPC326333 |
Remote Similarity | 0.6359 | NPC281581 |
Remote Similarity | 0.6355 | NPC138083 |
Remote Similarity | 0.6354 | NPC160931 |
Remote Similarity | 0.6354 | NPC170503 |
Remote Similarity | 0.6354 | NPC234392 |
Remote Similarity | 0.6354 | NPC137172 |
Remote Similarity | 0.6354 | NPC31311 |
Remote Similarity | 0.6354 | NPC145446 |
Remote Similarity | 0.6354 | NPC37205 |
Remote Similarity | 0.6354 | NPC203784 |
Molecular Weight   | 426.17 |
ALogP   | -1.1064 |
MLogP   | 3.44 |
XLogP   | 5.151 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 50.8 |
RO5 Violation   | 1 |