Drug ID:   | NPD3646 |
Drug Name:   | |
Molecular Formula:   | C19H27NO3 |
Canonical SMILES:   | O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1 |
Standard InCHI:   | InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2 |
Standard InCHIKey:   | RQHKZUBCUZVZEF-UHFFFAOYSA-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 |
---|---|---|
High Similarity | 0.8879 | NPC158854 |
Intermediate Similarity | 0.8039 | NPC9822 |
Intermediate Similarity | 0.7769 | NPC84281 |
Intermediate Similarity | 0.7769 | NPC169485 |
Intermediate Similarity | 0.7769 | NPC213126 |
Intermediate Similarity | 0.7769 | NPC317474 |
Intermediate Similarity | 0.7769 | NPC291027 |
Intermediate Similarity | 0.7647 | NPC294134 |
Intermediate Similarity | 0.7619 | NPC69496 |
Intermediate Similarity | 0.7581 | NPC474847 |
Intermediate Similarity | 0.7578 | NPC233910 |
Intermediate Similarity | 0.7578 | NPC245836 |
Intermediate Similarity | 0.7455 | NPC322598 |
Intermediate Similarity | 0.7451 | NPC288903 |
Intermediate Similarity | 0.7442 | NPC313663 |
Intermediate Similarity | 0.7387 | NPC221825 |
Intermediate Similarity | 0.7368 | NPC476198 |
Intermediate Similarity | 0.7364 | NPC270654 |
Intermediate Similarity | 0.7364 | NPC226041 |
Intermediate Similarity | 0.7353 | NPC323103 |
Intermediate Similarity | 0.7321 | NPC316797 |
Intermediate Similarity | 0.7304 | NPC142326 |
Intermediate Similarity | 0.7304 | NPC94751 |
Intermediate Similarity | 0.7282 | NPC270507 |
Intermediate Similarity | 0.7244 | NPC136453 |
Intermediate Similarity | 0.7244 | NPC65310 |
Intermediate Similarity | 0.72 | NPC26285 |
Intermediate Similarity | 0.7188 | NPC71933 |
Intermediate Similarity | 0.7188 | NPC239990 |
Intermediate Similarity | 0.7188 | NPC89923 |
Intermediate Similarity | 0.7188 | NPC105114 |
Intermediate Similarity | 0.7188 | NPC152850 |
Intermediate Similarity | 0.7184 | NPC103387 |
Intermediate Similarity | 0.717 | NPC322387 |
Intermediate Similarity | 0.7157 | NPC121800 |
Intermediate Similarity | 0.7143 | NPC475710 |
Intermediate Similarity | 0.713 | NPC86670 |
Intermediate Similarity | 0.713 | NPC70940 |
Intermediate Similarity | 0.713 | NPC274455 |
Intermediate Similarity | 0.7115 | NPC285773 |
Intermediate Similarity | 0.7115 | NPC44830 |
Intermediate Similarity | 0.7087 | NPC285394 |
Intermediate Similarity | 0.708 | NPC476042 |
Intermediate Similarity | 0.708 | NPC7435 |
Intermediate Similarity | 0.7069 | NPC167336 |
Intermediate Similarity | 0.7059 | NPC170484 |
Intermediate Similarity | 0.7037 | NPC231591 |
Intermediate Similarity | 0.7034 | NPC469636 |
Intermediate Similarity | 0.7031 | NPC4974 |
Intermediate Similarity | 0.7027 | NPC172925 |
Intermediate Similarity | 0.7023 | NPC157311 |
Intermediate Similarity | 0.7018 | NPC473325 |
Intermediate Similarity | 0.7018 | NPC128248 |
Intermediate Similarity | 0.7018 | NPC42211 |
Intermediate Similarity | 0.7018 | NPC133809 |
Intermediate Similarity | 0.7018 | NPC136810 |
Intermediate Similarity | 0.7 | NPC79496 |
Remote Similarity | 0.6972 | NPC213156 |
Remote Similarity | 0.6972 | NPC240108 |
Remote Similarity | 0.6972 | NPC84288 |
Remote Similarity | 0.697 | NPC8761 |
Remote Similarity | 0.697 | NPC44805 |
Remote Similarity | 0.6944 | NPC329064 |
Remote Similarity | 0.6942 | NPC469547 |
Remote Similarity | 0.6942 | NPC128368 |
Remote Similarity | 0.6935 | NPC45794 |
Remote Similarity | 0.693 | NPC118343 |
Remote Similarity | 0.6923 | NPC471186 |
Remote Similarity | 0.6923 | NPC199738 |
Remote Similarity | 0.6923 | NPC269457 |
Remote Similarity | 0.6923 | NPC210950 |
Remote Similarity | 0.6909 | NPC86987 |
Remote Similarity | 0.6905 | NPC190663 |
Remote Similarity | 0.6905 | NPC80150 |
Remote Similarity | 0.688 | NPC310467 |
Remote Similarity | 0.687 | NPC225079 |
Remote Similarity | 0.686 | NPC280789 |
Remote Similarity | 0.6842 | NPC246913 |
Remote Similarity | 0.6842 | NPC35448 |
Remote Similarity | 0.6842 | NPC271475 |
Remote Similarity | 0.6842 | NPC78701 |
Remote Similarity | 0.6838 | NPC281104 |
Remote Similarity | 0.6833 | NPC292758 |
Remote Similarity | 0.6833 | NPC65855 |
Remote Similarity | 0.6829 | NPC221275 |
Remote Similarity | 0.6827 | NPC127343 |
Remote Similarity | 0.6818 | NPC258627 |
Remote Similarity | 0.6812 | NPC161069 |
Remote Similarity | 0.6807 | NPC21929 |
Remote Similarity | 0.68 | NPC169328 |
Remote Similarity | 0.6797 | NPC160493 |
Remote Similarity | 0.6783 | NPC146351 |
Remote Similarity | 0.6783 | NPC12730 |
Remote Similarity | 0.678 | NPC67043 |
Remote Similarity | 0.678 | NPC473418 |
Remote Similarity | 0.6777 | NPC319579 |
Remote Similarity | 0.6777 | NPC167504 |
Remote Similarity | 0.6777 | NPC210089 |
Remote Similarity | 0.6777 | NPC95126 |
Remote Similarity | 0.6777 | NPC475002 |
Remote Similarity | 0.6772 | NPC473243 |
Remote Similarity | 0.6765 | NPC478140 |
Remote Similarity | 0.6757 | NPC317645 |
Remote Similarity | 0.6757 | NPC187725 |
Remote Similarity | 0.6757 | NPC141607 |
Remote Similarity | 0.6754 | NPC122493 |
Remote Similarity | 0.6754 | NPC324569 |
Remote Similarity | 0.6754 | NPC276775 |
Remote Similarity | 0.6754 | NPC10781 |
Remote Similarity | 0.6754 | NPC293628 |
Remote Similarity | 0.6754 | NPC249912 |
Remote Similarity | 0.6754 | NPC103048 |
Remote Similarity | 0.6754 | NPC92754 |
Remote Similarity | 0.6752 | NPC301943 |
Remote Similarity | 0.6752 | NPC329556 |
Remote Similarity | 0.6752 | NPC474365 |
Remote Similarity | 0.675 | NPC10251 |
Remote Similarity | 0.675 | NPC17417 |
Remote Similarity | 0.6748 | NPC471721 |
Remote Similarity | 0.6727 | NPC220893 |
Remote Similarity | 0.6724 | NPC264728 |
Remote Similarity | 0.6723 | NPC474111 |
Remote Similarity | 0.6723 | NPC329705 |
Remote Similarity | 0.6721 | NPC82899 |
Remote Similarity | 0.6721 | NPC270699 |
Remote Similarity | 0.672 | NPC212891 |
Remote Similarity | 0.6697 | NPC89377 |
Remote Similarity | 0.6696 | NPC225060 |
Remote Similarity | 0.6696 | NPC77273 |
Remote Similarity | 0.6695 | NPC269644 |
Remote Similarity | 0.6694 | NPC93084 |
Remote Similarity | 0.6694 | NPC214067 |
Remote Similarity | 0.6694 | NPC196246 |
Remote Similarity | 0.6694 | NPC251854 |
Remote Similarity | 0.6693 | NPC202015 |
Remote Similarity | 0.6693 | NPC204784 |
Remote Similarity | 0.6692 | NPC473938 |
Remote Similarity | 0.6692 | NPC328107 |
Remote Similarity | 0.6667 | NPC56493 |
Remote Similarity | 0.6667 | NPC95965 |
Remote Similarity | 0.6667 | NPC470007 |
Remote Similarity | 0.6667 | NPC152812 |
Remote Similarity | 0.6667 | NPC12695 |
Remote Similarity | 0.6643 | NPC475128 |
Remote Similarity | 0.6642 | NPC127741 |
Remote Similarity | 0.6641 | NPC295664 |
Remote Similarity | 0.6639 | NPC1082 |
Remote Similarity | 0.6639 | NPC474157 |
Remote Similarity | 0.6639 | NPC305912 |
Remote Similarity | 0.6639 | NPC137315 |
Remote Similarity | 0.6638 | NPC325497 |
Remote Similarity | 0.6637 | NPC261181 |
Remote Similarity | 0.6636 | NPC325441 |
Remote Similarity | 0.662 | NPC138775 |
Remote Similarity | 0.6613 | NPC326664 |
Remote Similarity | 0.6613 | NPC307651 |
Remote Similarity | 0.6612 | NPC281604 |
Remote Similarity | 0.6612 | NPC265407 |
Remote Similarity | 0.6612 | NPC83628 |
Remote Similarity | 0.6612 | NPC40178 |
Remote Similarity | 0.661 | NPC60679 |
Remote Similarity | 0.661 | NPC160382 |
Remote Similarity | 0.661 | NPC255676 |
Remote Similarity | 0.661 | NPC89886 |
Remote Similarity | 0.661 | NPC164859 |
Remote Similarity | 0.6609 | NPC289201 |
Remote Similarity | 0.6609 | NPC477767 |
Remote Similarity | 0.6607 | NPC119631 |
Remote Similarity | 0.6607 | NPC125226 |
Remote Similarity | 0.6594 | NPC316906 |
Remote Similarity | 0.6591 | NPC275576 |
Remote Similarity | 0.6591 | NPC470765 |
Remote Similarity | 0.6589 | NPC314192 |
Remote Similarity | 0.6589 | NPC50872 |
Remote Similarity | 0.6587 | NPC242764 |
Remote Similarity | 0.6587 | NPC105141 |
Remote Similarity | 0.6585 | NPC471189 |
Remote Similarity | 0.6585 | NPC471188 |
Remote Similarity | 0.6583 | NPC119271 |
Remote Similarity | 0.6581 | NPC70624 |
Remote Similarity | 0.6579 | NPC206764 |
Remote Similarity | 0.6579 | NPC130398 |
Remote Similarity | 0.6571 | NPC272260 |
Remote Similarity | 0.656 | NPC210092 |
Remote Similarity | 0.656 | NPC306740 |
Remote Similarity | 0.656 | NPC33742 |
Remote Similarity | 0.6557 | NPC24777 |
Remote Similarity | 0.6557 | NPC174099 |
Remote Similarity | 0.6555 | NPC114594 |
Remote Similarity | 0.6555 | NPC19136 |
Remote Similarity | 0.6552 | NPC120393 |
Remote Similarity | 0.6552 | NPC160548 |
Remote Similarity | 0.6552 | NPC210529 |
Remote Similarity | 0.6552 | NPC175852 |
Remote Similarity | 0.6552 | NPC145052 |
Remote Similarity | 0.6549 | NPC323164 |
Remote Similarity | 0.6542 | NPC230068 |
Remote Similarity | 0.6541 | NPC473220 |
Remote Similarity | 0.6541 | NPC169913 |
Remote Similarity | 0.6541 | NPC470753 |
Molecular Weight   | 317.20 |
ALogP   | -1.2714 |
MLogP   | 3.11 |
XLogP   | 4.715 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 38.77 |
RO5 Violation   | 0 |