Drug ID:   | NPD2244 |
Drug Name:   | |
Molecular Formula:   | C16H26N2O |
Canonical SMILES:   | CC[N+](CC(=Nc1c(C)cccc1C)O)(CC)CC |
Standard InCHI:   | InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1 |
Standard InCHIKey:   | PYEBKOFMWAMBFV-UHFFFAOYSA-O |
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 | 0.8454 | NPC78154 |
Intermediate Similarity | 0.76 | NPC473031 |
Intermediate Similarity | 0.7526 | NPC307456 |
Intermediate Similarity | 0.7451 | NPC470877 |
Intermediate Similarity | 0.7379 | NPC209764 |
Intermediate Similarity | 0.7379 | NPC141139 |
Intermediate Similarity | 0.7379 | NPC121872 |
Intermediate Similarity | 0.7379 | NPC471307 |
Intermediate Similarity | 0.7379 | NPC78041 |
Intermediate Similarity | 0.7379 | NPC159178 |
Intermediate Similarity | 0.7379 | NPC74936 |
Intermediate Similarity | 0.7374 | NPC15839 |
Intermediate Similarity | 0.7355 | NPC283130 |
Intermediate Similarity | 0.7355 | NPC328683 |
Intermediate Similarity | 0.7353 | NPC111233 |
Intermediate Similarity | 0.7273 | NPC178681 |
Intermediate Similarity | 0.7257 | NPC164802 |
Intermediate Similarity | 0.725 | NPC316582 |
Intermediate Similarity | 0.7182 | NPC291610 |
Intermediate Similarity | 0.717 | NPC471309 |
Intermediate Similarity | 0.7143 | NPC192209 |
Intermediate Similarity | 0.712 | NPC476950 |
Intermediate Similarity | 0.7107 | NPC317564 |
Intermediate Similarity | 0.7094 | NPC187036 |
Intermediate Similarity | 0.7094 | NPC296163 |
Intermediate Similarity | 0.7083 | NPC264580 |
Intermediate Similarity | 0.7083 | NPC228515 |
Intermediate Similarity | 0.7037 | NPC25565 |
Intermediate Similarity | 0.7034 | NPC205652 |
Intermediate Similarity | 0.7034 | NPC470550 |
Intermediate Similarity | 0.7019 | NPC12429 |
Intermediate Similarity | 0.701 | NPC271642 |
Intermediate Similarity | 0.7009 | NPC476483 |
Intermediate Similarity | 0.7 | NPC313449 |
Remote Similarity | 0.699 | NPC203076 |
Remote Similarity | 0.6984 | NPC478079 |
Remote Similarity | 0.6972 | NPC473501 |
Remote Similarity | 0.6972 | NPC475439 |
Remote Similarity | 0.6944 | NPC303045 |
Remote Similarity | 0.6944 | NPC161972 |
Remote Similarity | 0.6931 | NPC14326 |
Remote Similarity | 0.6923 | NPC262295 |
Remote Similarity | 0.6923 | NPC471638 |
Remote Similarity | 0.6917 | NPC243162 |
Remote Similarity | 0.6907 | NPC98976 |
Remote Similarity | 0.6893 | NPC3210 |
Remote Similarity | 0.6881 | NPC471320 |
Remote Similarity | 0.6881 | NPC471319 |
Remote Similarity | 0.6852 | NPC469330 |
Remote Similarity | 0.6833 | NPC288232 |
Remote Similarity | 0.6822 | NPC245259 |
Remote Similarity | 0.6822 | NPC226438 |
Remote Similarity | 0.6818 | NPC311242 |
Remote Similarity | 0.6797 | NPC150863 |
Remote Similarity | 0.6794 | NPC313352 |
Remote Similarity | 0.6777 | NPC313673 |
Remote Similarity | 0.6777 | NPC147957 |
Remote Similarity | 0.6744 | NPC226662 |
Remote Similarity | 0.6729 | NPC316108 |
Remote Similarity | 0.6729 | NPC92689 |
Remote Similarity | 0.6724 | NPC37584 |
Remote Similarity | 0.6698 | NPC30445 |
Remote Similarity | 0.6667 | NPC184437 |
Remote Similarity | 0.6667 | NPC231986 |
Remote Similarity | 0.6667 | NPC276949 |
Remote Similarity | 0.6667 | NPC35850 |
Remote Similarity | 0.6667 | NPC202613 |
Remote Similarity | 0.6667 | NPC470926 |
Remote Similarity | 0.6667 | NPC471310 |
Remote Similarity | 0.6667 | NPC472258 |
Remote Similarity | 0.6667 | NPC471317 |
Remote Similarity | 0.6667 | NPC474430 |
Remote Similarity | 0.6642 | NPC122553 |
Remote Similarity | 0.6641 | NPC476689 |
Remote Similarity | 0.6641 | NPC476687 |
Remote Similarity | 0.6641 | NPC476685 |
Remote Similarity | 0.6636 | NPC108339 |
Remote Similarity | 0.6636 | NPC58674 |
Remote Similarity | 0.6633 | NPC299134 |
Remote Similarity | 0.6615 | NPC314431 |
Remote Similarity | 0.6615 | NPC472245 |
Remote Similarity | 0.6615 | NPC280807 |
Remote Similarity | 0.6613 | NPC177684 |
Remote Similarity | 0.6613 | NPC291962 |
Remote Similarity | 0.6612 | NPC33742 |
Remote Similarity | 0.6609 | NPC88267 |
Remote Similarity | 0.6609 | NPC194390 |
Remote Similarity | 0.6609 | NPC113326 |
Remote Similarity | 0.6609 | NPC224610 |
Remote Similarity | 0.6579 | NPC239854 |
Remote Similarity | 0.6579 | NPC329375 |
Remote Similarity | 0.6574 | NPC191444 |
Remote Similarity | 0.6574 | NPC172128 |
Remote Similarity | 0.6571 | NPC254798 |
Remote Similarity | 0.6562 | NPC325013 |
Remote Similarity | 0.656 | NPC161956 |
Remote Similarity | 0.656 | NPC258531 |
Remote Similarity | 0.656 | NPC112373 |
Remote Similarity | 0.6552 | NPC143516 |
Remote Similarity | 0.6542 | NPC262393 |
Remote Similarity | 0.6538 | NPC104070 |
Remote Similarity | 0.6535 | NPC12857 |
Remote Similarity | 0.6532 | NPC220698 |
Remote Similarity | 0.6525 | NPC302790 |
Remote Similarity | 0.6504 | NPC239357 |
Remote Similarity | 0.6504 | NPC470544 |
Remote Similarity | 0.6496 | NPC130898 |
Remote Similarity | 0.6496 | NPC474973 |
Remote Similarity | 0.6496 | NPC474804 |
Remote Similarity | 0.6496 | NPC45033 |
Remote Similarity | 0.6496 | NPC471447 |
Remote Similarity | 0.6489 | NPC9856 |
Remote Similarity | 0.6481 | NPC173991 |
Remote Similarity | 0.6481 | NPC176858 |
Remote Similarity | 0.648 | NPC226143 |
Remote Similarity | 0.6479 | NPC187951 |
Remote Similarity | 0.6471 | NPC83214 |
Remote Similarity | 0.6466 | NPC275467 |
Remote Similarity | 0.6455 | NPC108800 |
Remote Similarity | 0.6452 | NPC470545 |
Remote Similarity | 0.6444 | NPC325599 |
Remote Similarity | 0.6438 | NPC104345 |
Remote Similarity | 0.6436 | NPC325662 |
Remote Similarity | 0.6436 | NPC98269 |
Remote Similarity | 0.6434 | NPC474926 |
Remote Similarity | 0.6429 | NPC116519 |
Remote Similarity | 0.6404 | NPC12730 |
Remote Similarity | 0.64 | NPC81561 |
Remote Similarity | 0.64 | NPC470546 |
Remote Similarity | 0.6393 | NPC314141 |
Remote Similarity | 0.6391 | NPC207428 |
Remote Similarity | 0.6391 | NPC53044 |
Remote Similarity | 0.6383 | NPC472100 |
Remote Similarity | 0.6381 | NPC119677 |
Remote Similarity | 0.6378 | NPC475915 |
Remote Similarity | 0.6378 | NPC257490 |
Remote Similarity | 0.6378 | NPC215519 |
Remote Similarity | 0.6377 | NPC104483 |
Remote Similarity | 0.6377 | NPC316202 |
Remote Similarity | 0.637 | NPC300299 |
Remote Similarity | 0.6364 | NPC244738 |
Remote Similarity | 0.6357 | NPC317758 |
Remote Similarity | 0.6357 | NPC472103 |
Remote Similarity | 0.6356 | NPC327481 |
Remote Similarity | 0.6348 | NPC214200 |
Remote Similarity | 0.6348 | NPC228400 |
Remote Similarity | 0.6348 | NPC469457 |
Remote Similarity | 0.6327 | NPC219246 |
Remote Similarity | 0.6321 | NPC169016 |
Remote Similarity | 0.632 | NPC148140 |
Remote Similarity | 0.632 | NPC476566 |
Remote Similarity | 0.6316 | NPC316746 |
Remote Similarity | 0.6308 | NPC472244 |
Remote Similarity | 0.6308 | NPC122718 |
Remote Similarity | 0.6308 | NPC470343 |
Remote Similarity | 0.6306 | NPC473661 |
Remote Similarity | 0.6303 | NPC172170 |
Remote Similarity | 0.6301 | NPC38736 |
Remote Similarity | 0.6301 | NPC207726 |
Remote Similarity | 0.63 | NPC66775 |
Remote Similarity | 0.6299 | NPC476990 |
Remote Similarity | 0.6299 | NPC200964 |
Remote Similarity | 0.6296 | NPC305602 |
Remote Similarity | 0.6296 | NPC17497 |
Remote Similarity | 0.6288 | NPC101372 |
Remote Similarity | 0.6286 | NPC478040 |
Remote Similarity | 0.6286 | NPC314287 |
Remote Similarity | 0.6273 | NPC476160 |
Remote Similarity | 0.6271 | NPC474695 |
Remote Similarity | 0.6268 | NPC314372 |
Remote Similarity | 0.6268 | NPC478039 |
Remote Similarity | 0.6268 | NPC324445 |
Remote Similarity | 0.626 | NPC322433 |
Remote Similarity | 0.626 | NPC57051 |
Remote Similarity | 0.626 | NPC252794 |
Remote Similarity | 0.6259 | NPC477157 |
Remote Similarity | 0.6259 | NPC84317 |
Remote Similarity | 0.6259 | NPC477156 |
Remote Similarity | 0.625 | NPC124005 |
Remote Similarity | 0.625 | NPC71684 |
Remote Similarity | 0.625 | NPC473676 |
Remote Similarity | 0.625 | NPC77294 |
Remote Similarity | 0.625 | NPC202521 |
Remote Similarity | 0.625 | NPC37548 |
Remote Similarity | 0.6242 | NPC68650 |
Remote Similarity | 0.6241 | NPC314186 |
Remote Similarity | 0.6241 | NPC190296 |
Remote Similarity | 0.624 | NPC285926 |
Remote Similarity | 0.624 | NPC315276 |
Remote Similarity | 0.624 | NPC14672 |
Remote Similarity | 0.6239 | NPC325441 |
Remote Similarity | 0.6239 | NPC297532 |
Remote Similarity | 0.6239 | NPC164859 |
Remote Similarity | 0.6232 | NPC314102 |
Remote Similarity | 0.6232 | NPC150259 |
Remote Similarity | 0.6232 | NPC251722 |
Remote Similarity | 0.6231 | NPC290094 |
Remote Similarity | 0.623 | NPC475013 |
Remote Similarity | 0.6228 | NPC33168 |
Remote Similarity | 0.6226 | NPC474088 |
Molecular Weight   | 263.21 |
ALogP   | 0.6148 |
MLogP   | 2.89 |
XLogP   | 3.667 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 12 |
TPSA   | 32.59 |
RO5 Violation   | 0 |