Drug ID:   | NPD603 |
Drug Name:   | |
Molecular Formula:   | C11H18N |
Canonical SMILES:   | CC[N+](Cc1ccccc1)(C)C |
Standard InCHI:   | InChI=1S/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1 |
Standard InCHIKey:   | ODRZUUBZEIXMOS-UHFFFAOYSA-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 |
---|---|---|
High Similarity | 0.9859 | NPC271642 |
High Similarity | 0.9718 | NPC98976 |
High Similarity | 0.9067 | NPC12857 |
High Similarity | 0.8974 | NPC104070 |
High Similarity | 0.8625 | NPC169016 |
Intermediate Similarity | 0.8378 | NPC219246 |
Intermediate Similarity | 0.8353 | NPC470926 |
Intermediate Similarity | 0.8312 | NPC139658 |
Intermediate Similarity | 0.8289 | NPC299134 |
Intermediate Similarity | 0.825 | NPC231986 |
Intermediate Similarity | 0.8205 | NPC325662 |
Intermediate Similarity | 0.8205 | NPC98269 |
Intermediate Similarity | 0.8193 | NPC258046 |
Intermediate Similarity | 0.7922 | NPC244738 |
Intermediate Similarity | 0.7895 | NPC229235 |
Intermediate Similarity | 0.7831 | NPC474088 |
Intermediate Similarity | 0.7821 | NPC122327 |
Intermediate Similarity | 0.7821 | NPC112609 |
Intermediate Similarity | 0.7821 | NPC113000 |
Intermediate Similarity | 0.7753 | NPC469330 |
Intermediate Similarity | 0.7753 | NPC322040 |
Intermediate Similarity | 0.7722 | NPC276699 |
Intermediate Similarity | 0.7674 | NPC305602 |
Intermediate Similarity | 0.7674 | NPC17497 |
Intermediate Similarity | 0.7674 | NPC473031 |
Intermediate Similarity | 0.7667 | NPC329430 |
Intermediate Similarity | 0.764 | NPC473661 |
Intermediate Similarity | 0.7619 | NPC119677 |
Intermediate Similarity | 0.7582 | NPC471320 |
Intermediate Similarity | 0.7582 | NPC471319 |
Intermediate Similarity | 0.7553 | NPC239854 |
Intermediate Similarity | 0.7553 | NPC291610 |
Intermediate Similarity | 0.7531 | NPC290638 |
Intermediate Similarity | 0.75 | NPC470877 |
Intermediate Similarity | 0.7473 | NPC108339 |
Intermediate Similarity | 0.7465 | NPC269586 |
Intermediate Similarity | 0.7416 | NPC159178 |
Intermediate Similarity | 0.7416 | NPC209764 |
Intermediate Similarity | 0.7416 | NPC78041 |
Intermediate Similarity | 0.7416 | NPC74936 |
Intermediate Similarity | 0.7416 | NPC141139 |
Intermediate Similarity | 0.7416 | NPC471307 |
Intermediate Similarity | 0.7416 | NPC121872 |
Intermediate Similarity | 0.7361 | NPC212114 |
Intermediate Similarity | 0.7361 | NPC120441 |
Intermediate Similarity | 0.7361 | NPC65873 |
Intermediate Similarity | 0.7361 | NPC300345 |
Intermediate Similarity | 0.7324 | NPC149436 |
Intermediate Similarity | 0.7324 | NPC277704 |
Intermediate Similarity | 0.732 | NPC474695 |
Intermediate Similarity | 0.7297 | NPC210849 |
Intermediate Similarity | 0.7262 | NPC475573 |
Intermediate Similarity | 0.7262 | NPC475289 |
Intermediate Similarity | 0.726 | NPC8235 |
Intermediate Similarity | 0.7222 | NPC198841 |
Intermediate Similarity | 0.7174 | NPC471309 |
Intermediate Similarity | 0.7174 | NPC474974 |
Intermediate Similarity | 0.7162 | NPC147062 |
Intermediate Similarity | 0.7162 | NPC169110 |
Intermediate Similarity | 0.7126 | NPC133162 |
Intermediate Similarity | 0.7105 | NPC50266 |
Intermediate Similarity | 0.7067 | NPC248705 |
Intermediate Similarity | 0.7067 | NPC54368 |
Intermediate Similarity | 0.7067 | NPC150196 |
Intermediate Similarity | 0.7067 | NPC310758 |
Intermediate Similarity | 0.7067 | NPC238023 |
Intermediate Similarity | 0.7067 | NPC135924 |
Intermediate Similarity | 0.7027 | NPC64270 |
Intermediate Similarity | 0.7027 | NPC36357 |
Intermediate Similarity | 0.7027 | NPC114327 |
Intermediate Similarity | 0.7013 | NPC32312 |
Intermediate Similarity | 0.7013 | NPC155172 |
Intermediate Similarity | 0.7013 | NPC198023 |
Intermediate Similarity | 0.7 | NPC12429 |
Remote Similarity | 0.6974 | NPC22786 |
Remote Similarity | 0.6974 | NPC29680 |
Remote Similarity | 0.697 | NPC476198 |
Remote Similarity | 0.6966 | NPC203076 |
Remote Similarity | 0.6923 | NPC178527 |
Remote Similarity | 0.6915 | NPC256452 |
Remote Similarity | 0.6897 | NPC14326 |
Remote Similarity | 0.6889 | NPC471638 |
Remote Similarity | 0.6889 | NPC53492 |
Remote Similarity | 0.6883 | NPC45756 |
Remote Similarity | 0.6883 | NPC88566 |
Remote Similarity | 0.6875 | NPC322598 |
Remote Similarity | 0.6875 | NPC200936 |
Remote Similarity | 0.6869 | NPC469974 |
Remote Similarity | 0.6848 | NPC78154 |
Remote Similarity | 0.6842 | NPC246588 |
Remote Similarity | 0.6813 | NPC111233 |
Remote Similarity | 0.6813 | NPC30445 |
Remote Similarity | 0.6809 | NPC71140 |
Remote Similarity | 0.6809 | NPC7067 |
Remote Similarity | 0.6774 | NPC245259 |
Remote Similarity | 0.6771 | NPC472258 |
Remote Similarity | 0.6765 | NPC164802 |
Remote Similarity | 0.6753 | NPC200745 |
Remote Similarity | 0.6753 | NPC66517 |
Remote Similarity | 0.6753 | NPC71009 |
Remote Similarity | 0.6735 | NPC214200 |
Remote Similarity | 0.6735 | NPC228400 |
Remote Similarity | 0.6735 | NPC474582 |
Remote Similarity | 0.6707 | NPC121708 |
Remote Similarity | 0.6707 | NPC125144 |
Remote Similarity | 0.6703 | NPC60408 |
Remote Similarity | 0.6703 | NPC262295 |
Remote Similarity | 0.6667 | NPC3210 |
Remote Similarity | 0.6667 | NPC55529 |
Remote Similarity | 0.6667 | NPC113670 |
Remote Similarity | 0.6667 | NPC21211 |
Remote Similarity | 0.6634 | NPC473418 |
Remote Similarity | 0.6629 | NPC134825 |
Remote Similarity | 0.6625 | NPC52330 |
Remote Similarity | 0.6625 | NPC267443 |
Remote Similarity | 0.6625 | NPC6107 |
Remote Similarity | 0.6623 | NPC45255 |
Remote Similarity | 0.66 | NPC471317 |
Remote Similarity | 0.66 | NPC471310 |
Remote Similarity | 0.66 | NPC202613 |
Remote Similarity | 0.6588 | NPC110264 |
Remote Similarity | 0.6582 | NPC291066 |
Remote Similarity | 0.6566 | NPC155847 |
Remote Similarity | 0.6566 | NPC289381 |
Remote Similarity | 0.6562 | NPC161972 |
Remote Similarity | 0.6562 | NPC303045 |
Remote Similarity | 0.6562 | NPC58674 |
Remote Similarity | 0.6559 | NPC173991 |
Remote Similarity | 0.6559 | NPC176858 |
Remote Similarity | 0.6543 | NPC311343 |
Remote Similarity | 0.6514 | NPC313449 |
Remote Similarity | 0.65 | NPC36440 |
Remote Similarity | 0.65 | NPC289915 |
Remote Similarity | 0.65 | NPC329375 |
Remote Similarity | 0.65 | NPC113837 |
Remote Similarity | 0.6495 | NPC25565 |
Remote Similarity | 0.6494 | NPC147578 |
Remote Similarity | 0.6489 | NPC191444 |
Remote Similarity | 0.6489 | NPC316108 |
Remote Similarity | 0.6471 | NPC167336 |
Remote Similarity | 0.6471 | NPC143516 |
Remote Similarity | 0.6463 | NPC98880 |
Remote Similarity | 0.6463 | NPC139416 |
Remote Similarity | 0.6463 | NPC246822 |
Remote Similarity | 0.6463 | NPC213570 |
Remote Similarity | 0.6449 | NPC187036 |
Remote Similarity | 0.6449 | NPC296163 |
Remote Similarity | 0.6442 | NPC77294 |
Remote Similarity | 0.6429 | NPC473501 |
Remote Similarity | 0.6429 | NPC54269 |
Remote Similarity | 0.6429 | NPC475439 |
Remote Similarity | 0.6422 | NPC313673 |
Remote Similarity | 0.6421 | NPC226438 |
Remote Similarity | 0.641 | NPC200624 |
Remote Similarity | 0.6408 | NPC130898 |
Remote Similarity | 0.6408 | NPC474973 |
Remote Similarity | 0.6408 | NPC45033 |
Remote Similarity | 0.6408 | NPC471447 |
Remote Similarity | 0.6408 | NPC474804 |
Remote Similarity | 0.6386 | NPC95289 |
Remote Similarity | 0.6373 | NPC275467 |
Remote Similarity | 0.6364 | NPC192209 |
Remote Similarity | 0.6354 | NPC108800 |
Remote Similarity | 0.6341 | NPC78954 |
Remote Similarity | 0.6341 | NPC239931 |
Remote Similarity | 0.6341 | NPC82770 |
Remote Similarity | 0.6341 | NPC22760 |
Remote Similarity | 0.6339 | NPC316582 |
Remote Similarity | 0.6337 | NPC327226 |
Remote Similarity | 0.633 | NPC101139 |
Remote Similarity | 0.633 | NPC288232 |
Remote Similarity | 0.6316 | NPC172128 |
Remote Similarity | 0.631 | NPC326200 |
Remote Similarity | 0.631 | NPC158028 |
Remote Similarity | 0.631 | NPC193578 |
Remote Similarity | 0.631 | NPC74458 |
Remote Similarity | 0.631 | NPC226999 |
Remote Similarity | 0.631 | NPC39799 |
Remote Similarity | 0.631 | NPC135433 |
Remote Similarity | 0.631 | NPC280135 |
Remote Similarity | 0.631 | NPC87099 |
Remote Similarity | 0.631 | NPC1008 |
Remote Similarity | 0.6306 | NPC264580 |
Remote Similarity | 0.6306 | NPC228515 |
Remote Similarity | 0.6304 | NPC229477 |
Remote Similarity | 0.6296 | NPC57051 |
Remote Similarity | 0.6289 | NPC291070 |
Remote Similarity | 0.6289 | NPC246757 |
Remote Similarity | 0.6286 | NPC473676 |
Remote Similarity | 0.6265 | NPC169222 |
Remote Similarity | 0.6265 | NPC5324 |
Remote Similarity | 0.6265 | NPC473206 |
Remote Similarity | 0.6265 | NPC235059 |
Remote Similarity | 0.6265 | NPC297358 |
Remote Similarity | 0.6265 | NPC16190 |
Remote Similarity | 0.6263 | NPC311242 |
Remote Similarity | 0.625 | NPC291962 |
Remote Similarity | 0.625 | NPC177684 |
Remote Similarity | 0.6235 | NPC285679 |
Remote Similarity | 0.6235 | NPC212463 |
TTD   | DIB013677 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 164.14 |
ALogP   | -0.875 |
MLogP   | 2.56 |
XLogP   | 3.203 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 0 |
RO5 Violation   | 0 |