Drug ID:   | NPD3035 |
Drug Name:   | Trimethyldiphenylpropylamine |
Molecular Formula:   | C18H23N |
Canonical SMILES:   | CC(N(C)C)CC(c1ccccc1)c1ccccc1 |
Standard InCHI:   | InChI=1S/C18H23N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3 |
Standard InCHIKey:   | NSHMKXVHJBBKTN-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.875 | NPC231986 |
High Similarity | 0.8605 | NPC470926 |
Intermediate Similarity | 0.8214 | NPC133162 |
Intermediate Similarity | 0.8125 | NPC271642 |
Intermediate Similarity | 0.8 | NPC98976 |
Intermediate Similarity | 0.7912 | NPC329430 |
Intermediate Similarity | 0.7901 | NPC139658 |
Intermediate Similarity | 0.7882 | NPC104070 |
Intermediate Similarity | 0.7882 | NPC119677 |
Intermediate Similarity | 0.7875 | NPC112609 |
Intermediate Similarity | 0.7875 | NPC113000 |
Intermediate Similarity | 0.7875 | NPC122327 |
Intermediate Similarity | 0.7872 | NPC474582 |
Intermediate Similarity | 0.7805 | NPC290638 |
Intermediate Similarity | 0.7791 | NPC169016 |
Intermediate Similarity | 0.7789 | NPC239854 |
Intermediate Similarity | 0.7733 | NPC22786 |
Intermediate Similarity | 0.7727 | NPC60408 |
Intermediate Similarity | 0.7632 | NPC113670 |
Intermediate Similarity | 0.76 | NPC135924 |
Intermediate Similarity | 0.76 | NPC210849 |
Intermediate Similarity | 0.76 | NPC246588 |
Intermediate Similarity | 0.759 | NPC325662 |
Intermediate Similarity | 0.759 | NPC98269 |
Intermediate Similarity | 0.7564 | NPC267443 |
Intermediate Similarity | 0.7561 | NPC276699 |
Intermediate Similarity | 0.7551 | NPC474695 |
Intermediate Similarity | 0.7532 | NPC198023 |
Intermediate Similarity | 0.7532 | NPC32312 |
Intermediate Similarity | 0.7532 | NPC155172 |
Intermediate Similarity | 0.7531 | NPC54269 |
Intermediate Similarity | 0.7531 | NPC244738 |
Intermediate Similarity | 0.75 | NPC12857 |
Intermediate Similarity | 0.75 | NPC229235 |
Intermediate Similarity | 0.7471 | NPC474088 |
Intermediate Similarity | 0.7416 | NPC203076 |
Intermediate Similarity | 0.7403 | NPC45756 |
Intermediate Similarity | 0.7403 | NPC88566 |
Intermediate Similarity | 0.7375 | NPC139416 |
Intermediate Similarity | 0.7375 | NPC246822 |
Intermediate Similarity | 0.7375 | NPC213570 |
Intermediate Similarity | 0.7374 | NPC167336 |
Intermediate Similarity | 0.7333 | NPC36357 |
Intermediate Similarity | 0.7333 | NPC114327 |
Intermediate Similarity | 0.7308 | NPC291066 |
Intermediate Similarity | 0.7273 | NPC29680 |
Intermediate Similarity | 0.7273 | NPC71009 |
Intermediate Similarity | 0.7245 | NPC291610 |
Intermediate Similarity | 0.7222 | NPC258046 |
Intermediate Similarity | 0.7215 | NPC178527 |
Intermediate Similarity | 0.7209 | NPC159661 |
Intermediate Similarity | 0.72 | NPC473418 |
Intermediate Similarity | 0.72 | NPC300345 |
Intermediate Similarity | 0.72 | NPC120441 |
Intermediate Similarity | 0.72 | NPC212114 |
Intermediate Similarity | 0.72 | NPC65873 |
Intermediate Similarity | 0.7195 | NPC226999 |
Intermediate Similarity | 0.7195 | NPC39799 |
Intermediate Similarity | 0.7195 | NPC87099 |
Intermediate Similarity | 0.7195 | NPC158028 |
Intermediate Similarity | 0.7195 | NPC193578 |
Intermediate Similarity | 0.7195 | NPC1008 |
Intermediate Similarity | 0.7195 | NPC135433 |
Intermediate Similarity | 0.7195 | NPC280135 |
Intermediate Similarity | 0.7176 | NPC249018 |
Intermediate Similarity | 0.7176 | NPC3190 |
Intermediate Similarity | 0.716 | NPC473206 |
Intermediate Similarity | 0.7159 | NPC14326 |
Intermediate Similarity | 0.7143 | NPC17497 |
Intermediate Similarity | 0.7143 | NPC248705 |
Intermediate Similarity | 0.7143 | NPC305602 |
Intermediate Similarity | 0.7143 | NPC150196 |
Intermediate Similarity | 0.7143 | NPC310758 |
Intermediate Similarity | 0.7143 | NPC54368 |
Intermediate Similarity | 0.7143 | NPC238023 |
Intermediate Similarity | 0.7087 | NPC65855 |
Intermediate Similarity | 0.7087 | NPC292758 |
Intermediate Similarity | 0.7073 | NPC72670 |
Intermediate Similarity | 0.7073 | NPC219246 |
Intermediate Similarity | 0.7073 | NPC251490 |
Intermediate Similarity | 0.7073 | NPC263385 |
Intermediate Similarity | 0.7067 | NPC269586 |
Intermediate Similarity | 0.7067 | NPC198841 |
Intermediate Similarity | 0.7051 | NPC200745 |
Intermediate Similarity | 0.7024 | NPC299134 |
Intermediate Similarity | 0.7013 | NPC147062 |
Intermediate Similarity | 0.701 | NPC311242 |
Remote Similarity | 0.6979 | NPC161972 |
Remote Similarity | 0.6979 | NPC303045 |
Remote Similarity | 0.6962 | NPC50266 |
Remote Similarity | 0.6957 | NPC473031 |
Remote Similarity | 0.6951 | NPC200936 |
Remote Similarity | 0.6951 | NPC297358 |
Remote Similarity | 0.6947 | NPC473661 |
Remote Similarity | 0.6941 | NPC307195 |
Remote Similarity | 0.6939 | NPC322598 |
Remote Similarity | 0.6933 | NPC277704 |
Remote Similarity | 0.6933 | NPC149436 |
Remote Similarity | 0.6932 | NPC475289 |
Remote Similarity | 0.6932 | NPC475573 |
Remote Similarity | 0.6932 | NPC315216 |
Remote Similarity | 0.6916 | NPC246904 |
Remote Similarity | 0.6915 | NPC172128 |
Remote Similarity | 0.6914 | NPC6107 |
Remote Similarity | 0.6907 | NPC25565 |
Remote Similarity | 0.6905 | NPC1901 |
Remote Similarity | 0.6883 | NPC8235 |
Remote Similarity | 0.6883 | NPC64270 |
Remote Similarity | 0.6882 | NPC12429 |
Remote Similarity | 0.6875 | NPC322040 |
Remote Similarity | 0.686 | NPC110264 |
Remote Similarity | 0.6852 | NPC473573 |
Remote Similarity | 0.6837 | NPC473501 |
Remote Similarity | 0.6837 | NPC475439 |
Remote Similarity | 0.6837 | NPC472258 |
Remote Similarity | 0.6835 | NPC66517 |
Remote Similarity | 0.6829 | NPC22760 |
Remote Similarity | 0.6824 | NPC96835 |
Remote Similarity | 0.6824 | NPC258492 |
Remote Similarity | 0.6809 | NPC470877 |
Remote Similarity | 0.6809 | NPC176858 |
Remote Similarity | 0.6804 | NPC108339 |
Remote Similarity | 0.68 | NPC228400 |
Remote Similarity | 0.68 | NPC214200 |
Remote Similarity | 0.68 | NPC316797 |
Remote Similarity | 0.6796 | NPC45033 |
Remote Similarity | 0.6795 | NPC169110 |
Remote Similarity | 0.679 | NPC36440 |
Remote Similarity | 0.679 | NPC113837 |
Remote Similarity | 0.679 | NPC289915 |
Remote Similarity | 0.6782 | NPC9796 |
Remote Similarity | 0.675 | NPC21211 |
Remote Similarity | 0.6739 | NPC3210 |
Remote Similarity | 0.6737 | NPC159178 |
Remote Similarity | 0.6737 | NPC316108 |
Remote Similarity | 0.6737 | NPC78041 |
Remote Similarity | 0.6737 | NPC74936 |
Remote Similarity | 0.6737 | NPC209764 |
Remote Similarity | 0.6737 | NPC191444 |
Remote Similarity | 0.6737 | NPC141139 |
Remote Similarity | 0.6737 | NPC471307 |
Remote Similarity | 0.6737 | NPC121872 |
Remote Similarity | 0.6735 | NPC471320 |
Remote Similarity | 0.6735 | NPC471319 |
Remote Similarity | 0.6705 | NPC255345 |
Remote Similarity | 0.6705 | NPC245896 |
Remote Similarity | 0.6705 | NPC66270 |
Remote Similarity | 0.6667 | NPC320656 |
Remote Similarity | 0.6667 | NPC226438 |
Remote Similarity | 0.6667 | NPC264470 |
Remote Similarity | 0.6667 | NPC264580 |
Remote Similarity | 0.6636 | NPC470544 |
Remote Similarity | 0.6634 | NPC469457 |
Remote Similarity | 0.6633 | NPC256452 |
Remote Similarity | 0.663 | NPC95429 |
Remote Similarity | 0.6629 | NPC272260 |
Remote Similarity | 0.6596 | NPC471638 |
Remote Similarity | 0.6577 | NPC470545 |
Remote Similarity | 0.6556 | NPC164449 |
Remote Similarity | 0.6556 | NPC184030 |
Remote Similarity | 0.6556 | NPC50063 |
Remote Similarity | 0.6548 | NPC5324 |
Remote Similarity | 0.6538 | NPC211551 |
Remote Similarity | 0.6531 | NPC71140 |
Remote Similarity | 0.6531 | NPC471309 |
Remote Similarity | 0.6531 | NPC469330 |
Remote Similarity | 0.6531 | NPC474974 |
Remote Similarity | 0.6526 | NPC30445 |
Remote Similarity | 0.6518 | NPC470546 |
Remote Similarity | 0.6517 | NPC103488 |
Remote Similarity | 0.6514 | NPC187036 |
Remote Similarity | 0.6512 | NPC212463 |
Remote Similarity | 0.6509 | NPC77294 |
Remote Similarity | 0.6495 | NPC245259 |
Remote Similarity | 0.6491 | NPC314192 |
Remote Similarity | 0.6491 | NPC475915 |
Remote Similarity | 0.6465 | NPC58674 |
Remote Similarity | 0.6449 | NPC158854 |
Remote Similarity | 0.6444 | NPC151405 |
Remote Similarity | 0.6444 | NPC139901 |
Remote Similarity | 0.6442 | NPC113326 |
Remote Similarity | 0.6442 | NPC224610 |
Remote Similarity | 0.6442 | NPC275467 |
Remote Similarity | 0.6442 | NPC194390 |
Remote Similarity | 0.6442 | NPC88267 |
Remote Similarity | 0.6435 | NPC109151 |
Remote Similarity | 0.6429 | NPC108800 |
Remote Similarity | 0.6429 | NPC192209 |
Remote Similarity | 0.6421 | NPC53492 |
Remote Similarity | 0.6413 | NPC73637 |
Remote Similarity | 0.6413 | NPC121478 |
Remote Similarity | 0.6404 | NPC179726 |
Remote Similarity | 0.6404 | NPC298023 |
Remote Similarity | 0.6395 | NPC121708 |
Remote Similarity | 0.6395 | NPC125144 |
Remote Similarity | 0.6383 | NPC475710 |
Remote Similarity | 0.6381 | NPC474559 |
Remote Similarity | 0.6381 | NPC476198 |
Remote Similarity | 0.6374 | NPC157055 |
Remote Similarity | 0.6374 | NPC17408 |
Molecular Weight   | 253.18 |
ALogP   | 0.3434 |
MLogP   | 3.33 |
XLogP   | 8.195 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 3.24 |
RO5 Violation   | 1 |