Drug ID:   | NPD1257 |
Drug Name:   | Fadrozole |
Molecular Formula:   | C14H13N3 |
Canonical SMILES:   | N#Cc1ccc(cc1)C1CCCc2n1cnc2 |
Standard InCHI:   | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2 |
Standard InCHIKey:   | CLPFFLWZZBQMAO-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; IUPHAR/BPS |
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 | 0.811 | NPC317054 |
Intermediate Similarity | 0.75 | NPC282531 |
Intermediate Similarity | 0.7455 | NPC470204 |
Intermediate Similarity | 0.7419 | NPC150259 |
Intermediate Similarity | 0.741 | NPC470203 |
Intermediate Similarity | 0.7329 | NPC114209 |
Intermediate Similarity | 0.7289 | NPC300238 |
Intermediate Similarity | 0.7267 | NPC63545 |
Intermediate Similarity | 0.7246 | NPC122141 |
Intermediate Similarity | 0.723 | NPC48564 |
Intermediate Similarity | 0.723 | NPC182570 |
Intermediate Similarity | 0.723 | NPC265605 |
Intermediate Similarity | 0.7222 | NPC201380 |
Intermediate Similarity | 0.7222 | NPC470111 |
Intermediate Similarity | 0.7222 | NPC179787 |
Intermediate Similarity | 0.7222 | NPC469811 |
Intermediate Similarity | 0.7202 | NPC225018 |
Intermediate Similarity | 0.7178 | NPC321911 |
Intermediate Similarity | 0.7134 | NPC40070 |
Intermediate Similarity | 0.7108 | NPC476219 |
Intermediate Similarity | 0.7108 | NPC476297 |
Intermediate Similarity | 0.7091 | NPC469975 |
Intermediate Similarity | 0.7083 | NPC293487 |
Intermediate Similarity | 0.7083 | NPC477591 |
Intermediate Similarity | 0.7063 | NPC230002 |
Intermediate Similarity | 0.7063 | NPC279081 |
Intermediate Similarity | 0.7048 | NPC325903 |
Intermediate Similarity | 0.7027 | NPC91958 |
Intermediate Similarity | 0.702 | NPC46358 |
Remote Similarity | 0.6994 | NPC204141 |
Remote Similarity | 0.6974 | NPC52764 |
Remote Similarity | 0.6974 | NPC27740 |
Remote Similarity | 0.6968 | NPC469308 |
Remote Similarity | 0.6959 | NPC471402 |
Remote Similarity | 0.6959 | NPC297486 |
Remote Similarity | 0.6959 | NPC478182 |
Remote Similarity | 0.6959 | NPC478184 |
Remote Similarity | 0.6959 | NPC240136 |
Remote Similarity | 0.6951 | NPC143872 |
Remote Similarity | 0.6923 | NPC236711 |
Remote Similarity | 0.6923 | NPC472289 |
Remote Similarity | 0.6901 | NPC478185 |
Remote Similarity | 0.6879 | NPC478183 |
Remote Similarity | 0.6879 | NPC256893 |
Remote Similarity | 0.6879 | NPC101165 |
Remote Similarity | 0.6879 | NPC56233 |
Remote Similarity | 0.6875 | NPC314102 |
Remote Similarity | 0.6875 | NPC251722 |
Remote Similarity | 0.6872 | NPC307191 |
Remote Similarity | 0.6871 | NPC20144 |
Remote Similarity | 0.6863 | NPC476322 |
Remote Similarity | 0.6849 | NPC235843 |
Remote Similarity | 0.6818 | NPC146373 |
Remote Similarity | 0.6818 | NPC245244 |
Remote Similarity | 0.6818 | NPC166424 |
Remote Similarity | 0.6813 | NPC96102 |
Remote Similarity | 0.6813 | NPC216159 |
Remote Similarity | 0.68 | NPC143603 |
Remote Similarity | 0.68 | NPC32534 |
Remote Similarity | 0.68 | NPC91895 |
Remote Similarity | 0.6796 | NPC108011 |
Remote Similarity | 0.679 | NPC32002 |
Remote Similarity | 0.679 | NPC110126 |
Remote Similarity | 0.679 | NPC315348 |
Remote Similarity | 0.679 | NPC316811 |
Remote Similarity | 0.679 | NPC73767 |
Remote Similarity | 0.677 | NPC105127 |
Remote Similarity | 0.677 | NPC84911 |
Remote Similarity | 0.6763 | NPC317105 |
Remote Similarity | 0.6753 | NPC116555 |
Remote Similarity | 0.675 | NPC198988 |
Remote Similarity | 0.674 | NPC471609 |
Remote Similarity | 0.6724 | NPC274229 |
Remote Similarity | 0.6709 | NPC282398 |
Remote Similarity | 0.6709 | NPC69914 |
Remote Similarity | 0.6708 | NPC261195 |
Remote Similarity | 0.6708 | NPC29886 |
Remote Similarity | 0.6708 | NPC325252 |
Remote Similarity | 0.6706 | NPC120070 |
Remote Similarity | 0.6687 | NPC88097 |
Remote Similarity | 0.6686 | NPC470233 |
Remote Similarity | 0.6686 | NPC56765 |
Remote Similarity | 0.6686 | NPC49217 |
Remote Similarity | 0.6667 | NPC82295 |
Remote Similarity | 0.6667 | NPC476566 |
Remote Similarity | 0.6667 | NPC265710 |
Remote Similarity | 0.6667 | NPC82331 |
Remote Similarity | 0.665 | NPC54981 |
Remote Similarity | 0.6648 | NPC280852 |
Remote Similarity | 0.6646 | NPC469767 |
Remote Similarity | 0.6646 | NPC115611 |
Remote Similarity | 0.6646 | NPC476131 |
Remote Similarity | 0.6646 | NPC469784 |
Remote Similarity | 0.6646 | NPC469783 |
Remote Similarity | 0.6646 | NPC469768 |
Remote Similarity | 0.6646 | NPC469779 |
Remote Similarity | 0.6646 | NPC469761 |
Remote Similarity | 0.6646 | NPC469780 |
Remote Similarity | 0.663 | NPC16659 |
Remote Similarity | 0.6629 | NPC2165 |
Remote Similarity | 0.6629 | NPC195507 |
Remote Similarity | 0.6628 | NPC129721 |
Remote Similarity | 0.6626 | NPC169433 |
Remote Similarity | 0.6623 | NPC329825 |
Remote Similarity | 0.6616 | NPC471603 |
Remote Similarity | 0.6611 | NPC240088 |
Remote Similarity | 0.6611 | NPC473380 |
Remote Similarity | 0.661 | NPC97343 |
Remote Similarity | 0.6606 | NPC469766 |
Remote Similarity | 0.6599 | NPC27802 |
Remote Similarity | 0.6587 | NPC86288 |
Remote Similarity | 0.6585 | NPC104483 |
Remote Similarity | 0.6581 | NPC290094 |
Remote Similarity | 0.6575 | NPC12649 |
Remote Similarity | 0.6571 | NPC90723 |
Remote Similarity | 0.657 | NPC51054 |
Remote Similarity | 0.6566 | NPC242923 |
Remote Similarity | 0.6566 | NPC190296 |
Remote Similarity | 0.6564 | NPC125746 |
Remote Similarity | 0.6564 | NPC65408 |
Remote Similarity | 0.6562 | NPC471322 |
Remote Similarity | 0.6556 | NPC474958 |
Remote Similarity | 0.6552 | NPC44773 |
Remote Similarity | 0.6552 | NPC215584 |
Remote Similarity | 0.6548 | NPC288838 |
Remote Similarity | 0.6538 | NPC24864 |
Remote Similarity | 0.6514 | NPC253687 |
Remote Similarity | 0.65 | NPC471579 |
Remote Similarity | 0.6497 | NPC71238 |
Remote Similarity | 0.6494 | NPC41257 |
Remote Similarity | 0.6494 | NPC206819 |
Remote Similarity | 0.6494 | NPC318065 |
Remote Similarity | 0.649 | NPC84268 |
Remote Similarity | 0.6488 | NPC285731 |
Remote Similarity | 0.6488 | NPC314372 |
Remote Similarity | 0.6488 | NPC159856 |
Remote Similarity | 0.6486 | NPC476341 |
Remote Similarity | 0.6477 | NPC247987 |
Remote Similarity | 0.6467 | NPC42483 |
Remote Similarity | 0.646 | NPC324611 |
Remote Similarity | 0.6456 | NPC169625 |
Remote Similarity | 0.6456 | NPC202957 |
Remote Similarity | 0.645 | NPC478186 |
Remote Similarity | 0.6447 | NPC148140 |
Remote Similarity | 0.6446 | NPC284635 |
Remote Similarity | 0.6441 | NPC280864 |
Remote Similarity | 0.6441 | NPC17751 |
Remote Similarity | 0.6437 | NPC286427 |
Remote Similarity | 0.6433 | NPC53947 |
Remote Similarity | 0.6425 | NPC164664 |
Remote Similarity | 0.6412 | NPC471957 |
Remote Similarity | 0.6409 | NPC297034 |
Remote Similarity | 0.6407 | NPC63157 |
Remote Similarity | 0.6407 | NPC476454 |
Remote Similarity | 0.6407 | NPC473868 |
Remote Similarity | 0.6405 | NPC81561 |
Remote Similarity | 0.6402 | NPC218268 |
Remote Similarity | 0.6395 | NPC231655 |
Remote Similarity | 0.6395 | NPC76540 |
Remote Similarity | 0.6391 | NPC470440 |
Remote Similarity | 0.6375 | NPC89490 |
Remote Similarity | 0.6364 | NPC162689 |
Remote Similarity | 0.6364 | NPC54102 |
Remote Similarity | 0.6359 | NPC73994 |
Remote Similarity | 0.6359 | NPC54537 |
Remote Similarity | 0.6358 | NPC200214 |
Remote Similarity | 0.6358 | NPC138842 |
Remote Similarity | 0.6347 | NPC2949 |
Remote Similarity | 0.6347 | NPC59084 |
Remote Similarity | 0.6341 | NPC308906 |
Remote Similarity | 0.6337 | NPC24678 |
Remote Similarity | 0.6337 | NPC105818 |
Remote Similarity | 0.6337 | NPC282247 |
Remote Similarity | 0.6335 | NPC329896 |
Remote Similarity | 0.6335 | NPC475105 |
Remote Similarity | 0.6335 | NPC475090 |
Remote Similarity | 0.6324 | NPC267811 |
Remote Similarity | 0.6324 | NPC191415 |
Remote Similarity | 0.6322 | NPC34844 |
Remote Similarity | 0.6301 | NPC470823 |
Remote Similarity | 0.6301 | NPC216713 |
Remote Similarity | 0.6296 | NPC22079 |
Remote Similarity | 0.629 | NPC48938 |
Remote Similarity | 0.629 | NPC102755 |
Remote Similarity | 0.6286 | NPC476464 |
Remote Similarity | 0.6282 | NPC215519 |
Remote Similarity | 0.6271 | NPC255229 |
Remote Similarity | 0.6271 | NPC81229 |
Remote Similarity | 0.6271 | NPC279918 |
Remote Similarity | 0.6264 | NPC469763 |
Remote Similarity | 0.6264 | NPC469765 |
Remote Similarity | 0.6264 | NPC259644 |
Remote Similarity | 0.6264 | NPC73952 |
Remote Similarity | 0.6264 | NPC469786 |
Remote Similarity | 0.6264 | NPC141926 |
Remote Similarity | 0.6264 | NPC469760 |
Remote Similarity | 0.6264 | NPC25008 |
Remote Similarity | 0.6257 | NPC284678 |
Remote Similarity | 0.625 | NPC216643 |
Remote Similarity | 0.625 | NPC75999 |
Molecular Weight   | 223.11 |
ALogP   | -0.3229 |
MLogP   | 2.67 |
XLogP   | 2.728 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 1 |
TPSA   | 41.61 |
RO5 Violation   | 0 |