Drug ID:   | NPD79 |
Drug Name:   | Tranylcypromine Sulfate |
Molecular Formula:   | 2C9H11N.H2O4S |
Canonical SMILES:   | OS(=O)(=O)O.NC1CC1c1ccccc1.NC1CC1c1ccccc1 |
Standard InCHI:   | InChI=1S/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4) |
Standard InCHIKey:   | BKPRVQDIOGQWTG-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 | 0.9178 | NPC113000 |
High Similarity | 0.9178 | NPC122327 |
High Similarity | 0.9178 | NPC112609 |
High Similarity | 0.9067 | NPC290638 |
High Similarity | 0.9028 | NPC229235 |
High Similarity | 0.8816 | NPC98269 |
High Similarity | 0.8816 | NPC325662 |
High Similarity | 0.88 | NPC276699 |
Intermediate Similarity | 0.8442 | NPC139658 |
Intermediate Similarity | 0.8395 | NPC119677 |
Intermediate Similarity | 0.8267 | NPC219246 |
Intermediate Similarity | 0.7821 | NPC244738 |
Intermediate Similarity | 0.7778 | NPC12857 |
Intermediate Similarity | 0.7674 | NPC258046 |
Intermediate Similarity | 0.7671 | NPC135924 |
Intermediate Similarity | 0.7647 | NPC169016 |
Intermediate Similarity | 0.7586 | NPC60408 |
Intermediate Similarity | 0.7582 | NPC329430 |
Intermediate Similarity | 0.75 | NPC231986 |
Intermediate Similarity | 0.7467 | NPC88566 |
Intermediate Similarity | 0.7442 | NPC133162 |
Intermediate Similarity | 0.7407 | NPC98976 |
Intermediate Similarity | 0.7368 | NPC198023 |
Intermediate Similarity | 0.7368 | NPC32312 |
Intermediate Similarity | 0.7368 | NPC155172 |
Intermediate Similarity | 0.7361 | NPC198841 |
Intermediate Similarity | 0.7333 | NPC29680 |
Intermediate Similarity | 0.7317 | NPC271642 |
Intermediate Similarity | 0.7303 | NPC30445 |
Intermediate Similarity | 0.7284 | NPC299134 |
Intermediate Similarity | 0.7283 | NPC246757 |
Intermediate Similarity | 0.7283 | NPC291070 |
Intermediate Similarity | 0.726 | NPC300345 |
Intermediate Similarity | 0.726 | NPC65873 |
Intermediate Similarity | 0.726 | NPC212114 |
Intermediate Similarity | 0.726 | NPC120441 |
Intermediate Similarity | 0.7237 | NPC113670 |
Intermediate Similarity | 0.7237 | NPC50266 |
Intermediate Similarity | 0.7237 | NPC45756 |
Intermediate Similarity | 0.7222 | NPC176858 |
Intermediate Similarity | 0.7222 | NPC149436 |
Intermediate Similarity | 0.72 | NPC248705 |
Intermediate Similarity | 0.72 | NPC310758 |
Intermediate Similarity | 0.72 | NPC238023 |
Intermediate Similarity | 0.72 | NPC150196 |
Intermediate Similarity | 0.72 | NPC210849 |
Intermediate Similarity | 0.72 | NPC246588 |
Intermediate Similarity | 0.72 | NPC54368 |
Intermediate Similarity | 0.7143 | NPC191444 |
Intermediate Similarity | 0.7126 | NPC104070 |
Intermediate Similarity | 0.7123 | NPC269586 |
Intermediate Similarity | 0.7105 | NPC71009 |
Intermediate Similarity | 0.7105 | NPC66517 |
Intermediate Similarity | 0.7067 | NPC147062 |
Intermediate Similarity | 0.7065 | NPC470926 |
Intermediate Similarity | 0.7053 | NPC122493 |
Intermediate Similarity | 0.7053 | NPC10781 |
Intermediate Similarity | 0.7053 | NPC293628 |
Intermediate Similarity | 0.7051 | NPC178527 |
Intermediate Similarity | 0.7013 | NPC21211 |
Intermediate Similarity | 0.7 | NPC200936 |
Remote Similarity | 0.6986 | NPC277704 |
Remote Similarity | 0.6979 | NPC303611 |
Remote Similarity | 0.6979 | NPC108606 |
Remote Similarity | 0.6979 | NPC226096 |
Remote Similarity | 0.6979 | NPC164514 |
Remote Similarity | 0.6979 | NPC290515 |
Remote Similarity | 0.6962 | NPC6107 |
Remote Similarity | 0.6962 | NPC267443 |
Remote Similarity | 0.6957 | NPC316108 |
Remote Similarity | 0.6933 | NPC8235 |
Remote Similarity | 0.6933 | NPC64270 |
Remote Similarity | 0.6933 | NPC36357 |
Remote Similarity | 0.6933 | NPC114327 |
Remote Similarity | 0.6932 | NPC474088 |
Remote Similarity | 0.6923 | NPC111233 |
Remote Similarity | 0.6923 | NPC291066 |
Remote Similarity | 0.6915 | NPC469330 |
Remote Similarity | 0.6915 | NPC7067 |
Remote Similarity | 0.6905 | NPC110264 |
Remote Similarity | 0.6883 | NPC22786 |
Remote Similarity | 0.6875 | NPC324569 |
Remote Similarity | 0.6842 | NPC20142 |
Remote Similarity | 0.6842 | NPC215351 |
Remote Similarity | 0.6842 | NPC169110 |
Remote Similarity | 0.6835 | NPC113837 |
Remote Similarity | 0.6835 | NPC289915 |
Remote Similarity | 0.6809 | NPC108800 |
Remote Similarity | 0.679 | NPC246822 |
Remote Similarity | 0.679 | NPC139416 |
Remote Similarity | 0.679 | NPC473206 |
Remote Similarity | 0.679 | NPC213570 |
Remote Similarity | 0.6747 | NPC54269 |
Remote Similarity | 0.6737 | NPC322040 |
Remote Similarity | 0.6709 | NPC264470 |
Remote Similarity | 0.6707 | NPC251490 |
Remote Similarity | 0.6707 | NPC263385 |
Remote Similarity | 0.6707 | NPC72670 |
Remote Similarity | 0.6703 | NPC203076 |
Remote Similarity | 0.6702 | NPC226438 |
Remote Similarity | 0.6667 | NPC303045 |
Remote Similarity | 0.6667 | NPC200745 |
Remote Similarity | 0.6667 | NPC327481 |
Remote Similarity | 0.6667 | NPC161972 |
Remote Similarity | 0.6634 | NPC226778 |
Remote Similarity | 0.6634 | NPC150254 |
Remote Similarity | 0.6634 | NPC147000 |
Remote Similarity | 0.6634 | NPC304761 |
Remote Similarity | 0.663 | NPC262295 |
Remote Similarity | 0.663 | NPC473031 |
Remote Similarity | 0.663 | NPC471638 |
Remote Similarity | 0.6629 | NPC14326 |
Remote Similarity | 0.6627 | NPC1008 |
Remote Similarity | 0.6627 | NPC87099 |
Remote Similarity | 0.6627 | NPC121708 |
Remote Similarity | 0.6627 | NPC135433 |
Remote Similarity | 0.6627 | NPC280135 |
Remote Similarity | 0.6627 | NPC226999 |
Remote Similarity | 0.6627 | NPC158028 |
Remote Similarity | 0.6627 | NPC125144 |
Remote Similarity | 0.6627 | NPC39799 |
Remote Similarity | 0.6627 | NPC193578 |
Remote Similarity | 0.6598 | NPC471320 |
Remote Similarity | 0.6598 | NPC471319 |
Remote Similarity | 0.6598 | NPC25565 |
Remote Similarity | 0.6591 | NPC192623 |
Remote Similarity | 0.6585 | NPC297358 |
Remote Similarity | 0.6569 | NPC67043 |
Remote Similarity | 0.6566 | NPC125732 |
Remote Similarity | 0.6559 | NPC12429 |
Remote Similarity | 0.6548 | NPC212463 |
Remote Similarity | 0.6548 | NPC1901 |
Remote Similarity | 0.6543 | NPC52330 |
Remote Similarity | 0.6538 | NPC45255 |
Remote Similarity | 0.6535 | NPC164859 |
Remote Similarity | 0.6531 | NPC475439 |
Remote Similarity | 0.6531 | NPC473501 |
Remote Similarity | 0.65 | NPC474582 |
Remote Similarity | 0.6495 | NPC108339 |
Remote Similarity | 0.6489 | NPC173991 |
Remote Similarity | 0.6489 | NPC470877 |
Remote Similarity | 0.6471 | NPC96835 |
Remote Similarity | 0.6471 | NPC258492 |
Remote Similarity | 0.6471 | NPC275467 |
Remote Similarity | 0.6463 | NPC22760 |
Remote Similarity | 0.6437 | NPC249018 |
Remote Similarity | 0.6437 | NPC3190 |
Remote Similarity | 0.6437 | NPC298023 |
Remote Similarity | 0.6436 | NPC327226 |
Remote Similarity | 0.6436 | NPC239854 |
Remote Similarity | 0.6421 | NPC209764 |
Remote Similarity | 0.6421 | NPC159178 |
Remote Similarity | 0.6421 | NPC78041 |
Remote Similarity | 0.6421 | NPC471307 |
Remote Similarity | 0.6421 | NPC74936 |
Remote Similarity | 0.6421 | NPC141139 |
Remote Similarity | 0.6421 | NPC121872 |
Remote Similarity | 0.642 | NPC36440 |
Remote Similarity | 0.6415 | NPC313981 |
Remote Similarity | 0.641 | NPC147578 |
Remote Similarity | 0.6408 | NPC474695 |
Remote Similarity | 0.6404 | NPC309279 |
Remote Similarity | 0.6404 | NPC475289 |
Remote Similarity | 0.6404 | NPC475573 |
Remote Similarity | 0.6395 | NPC307195 |
Remote Similarity | 0.6381 | NPC97811 |
Remote Similarity | 0.6373 | NPC68055 |
Remote Similarity | 0.6364 | NPC103488 |
Remote Similarity | 0.6364 | NPC311242 |
Remote Similarity | 0.6364 | NPC313673 |
Remote Similarity | 0.6364 | NPC224544 |
Remote Similarity | 0.6354 | NPC245259 |
Remote Similarity | 0.6337 | NPC469457 |
Remote Similarity | 0.6329 | NPC200624 |
Remote Similarity | 0.6322 | NPC35599 |
Remote Similarity | 0.6321 | NPC24777 |
Remote Similarity | 0.631 | NPC271732 |
Remote Similarity | 0.631 | NPC95289 |
Remote Similarity | 0.63 | NPC322598 |
Remote Similarity | 0.6296 | NPC474584 |
Remote Similarity | 0.6292 | NPC159661 |
Remote Similarity | 0.6289 | NPC473661 |
Remote Similarity | 0.6277 | NPC305602 |
Remote Similarity | 0.6277 | NPC17497 |
Remote Similarity | 0.6265 | NPC311343 |
Remote Similarity | 0.6265 | NPC239931 |
Remote Similarity | 0.6265 | NPC82770 |
Remote Similarity | 0.6265 | NPC78954 |
Remote Similarity | 0.6262 | NPC319579 |
Remote Similarity | 0.625 | NPC42383 |
Remote Similarity | 0.625 | NPC320656 |
Remote Similarity | 0.6238 | NPC12730 |
Remote Similarity | 0.6237 | NPC3210 |
Remote Similarity | 0.6235 | NPC208302 |
Remote Similarity | 0.6235 | NPC74458 |
Remote Similarity | 0.6224 | NPC471309 |
Remote Similarity | 0.6222 | NPC285716 |
Remote Similarity | 0.6222 | NPC157055 |
Remote Similarity | 0.6222 | NPC17408 |
Remote Similarity | 0.6207 | NPC301874 |
Molecular Weight   | 133.09 |
ALogP   | -0.8508 |
MLogP   | 2.34 |
XLogP   | 3.181 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 2 |
TPSA   | 26.02 |
RO5 Violation   | 0 |