Drug ID:   | NPD1001 |
Drug Name:   | Prinoxodan |
Molecular Formula:   | C13H14N4O2 |
Canonical SMILES:   | OC1=NN=C(CC1)c1ccc2c(c1)CN(C(=N2)O)C |
Standard InCHI:   | InChI=1S/C13H14N4O2/c1-17-7-9-6-8(2-3-10(9)14-13(17)19)11-4-5-12(18)16-15-11/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,16,18) |
Standard InCHIKey:   | SUCNEHPNQBBVHQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Discontinued |
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 | 0.7609 | NPC226662 |
Intermediate Similarity | 0.748 | NPC164802 |
Intermediate Similarity | 0.7426 | NPC328683 |
Intermediate Similarity | 0.7426 | NPC283130 |
Intermediate Similarity | 0.7273 | NPC205652 |
Intermediate Similarity | 0.7239 | NPC313449 |
Intermediate Similarity | 0.7218 | NPC288232 |
Intermediate Similarity | 0.7197 | NPC187036 |
Intermediate Similarity | 0.7153 | NPC184437 |
Intermediate Similarity | 0.7068 | NPC314141 |
Intermediate Similarity | 0.7051 | NPC84317 |
Intermediate Similarity | 0.7027 | NPC243162 |
Intermediate Similarity | 0.7014 | NPC476687 |
Intermediate Similarity | 0.7014 | NPC476689 |
Intermediate Similarity | 0.7014 | NPC476685 |
Remote Similarity | 0.6985 | NPC192209 |
Remote Similarity | 0.6953 | NPC178681 |
Remote Similarity | 0.695 | NPC474926 |
Remote Similarity | 0.694 | NPC296163 |
Remote Similarity | 0.6889 | NPC470550 |
Remote Similarity | 0.6885 | NPC78154 |
Remote Similarity | 0.6855 | NPC154478 |
Remote Similarity | 0.6853 | NPC476950 |
Remote Similarity | 0.6835 | NPC94167 |
Remote Similarity | 0.6835 | NPC172937 |
Remote Similarity | 0.6815 | NPC471132 |
Remote Similarity | 0.6788 | NPC147957 |
Remote Similarity | 0.677 | NPC16667 |
Remote Similarity | 0.6759 | NPC9856 |
Remote Similarity | 0.6757 | NPC300299 |
Remote Similarity | 0.6733 | NPC83214 |
Remote Similarity | 0.672 | NPC476483 |
Remote Similarity | 0.6694 | NPC226438 |
Remote Similarity | 0.6687 | NPC471130 |
Remote Similarity | 0.6667 | NPC88970 |
Remote Similarity | 0.6667 | NPC303045 |
Remote Similarity | 0.6667 | NPC207428 |
Remote Similarity | 0.6667 | NPC161972 |
Remote Similarity | 0.6646 | NPC67056 |
Remote Similarity | 0.6645 | NPC2823 |
Remote Similarity | 0.6617 | NPC37584 |
Remote Similarity | 0.6603 | NPC254798 |
Remote Similarity | 0.6601 | NPC477155 |
Remote Similarity | 0.6597 | NPC325013 |
Remote Similarity | 0.6596 | NPC317564 |
Remote Similarity | 0.6575 | NPC197680 |
Remote Similarity | 0.6575 | NPC259098 |
Remote Similarity | 0.6566 | NPC280548 |
Remote Similarity | 0.6564 | NPC476231 |
Remote Similarity | 0.6562 | NPC311242 |
Remote Similarity | 0.6562 | NPC207726 |
Remote Similarity | 0.6554 | NPC325479 |
Remote Similarity | 0.6545 | NPC300631 |
Remote Similarity | 0.6538 | NPC324445 |
Remote Similarity | 0.6532 | NPC470877 |
Remote Similarity | 0.6531 | NPC314431 |
Remote Similarity | 0.6522 | NPC477156 |
Remote Similarity | 0.6522 | NPC477157 |
Remote Similarity | 0.6522 | NPC285469 |
Remote Similarity | 0.6519 | NPC470127 |
Remote Similarity | 0.6494 | NPC238499 |
Remote Similarity | 0.6488 | NPC34508 |
Remote Similarity | 0.6485 | NPC470508 |
Remote Similarity | 0.648 | NPC78041 |
Remote Similarity | 0.648 | NPC74936 |
Remote Similarity | 0.648 | NPC159178 |
Remote Similarity | 0.648 | NPC209764 |
Remote Similarity | 0.648 | NPC141139 |
Remote Similarity | 0.648 | NPC471307 |
Remote Similarity | 0.648 | NPC121872 |
Remote Similarity | 0.6477 | NPC471195 |
Remote Similarity | 0.6477 | NPC471196 |
Remote Similarity | 0.6474 | NPC116519 |
Remote Similarity | 0.6463 | NPC282231 |
Remote Similarity | 0.646 | NPC38736 |
Remote Similarity | 0.6454 | NPC264580 |
Remote Similarity | 0.6444 | NPC302790 |
Remote Similarity | 0.6434 | NPC215519 |
Remote Similarity | 0.6433 | NPC472100 |
Remote Similarity | 0.6424 | NPC194640 |
Remote Similarity | 0.6402 | NPC68650 |
Remote Similarity | 0.6402 | NPC279918 |
Remote Similarity | 0.6395 | NPC478079 |
Remote Similarity | 0.6376 | NPC316746 |
Remote Similarity | 0.637 | NPC122718 |
Remote Similarity | 0.6364 | NPC472243 |
Remote Similarity | 0.6357 | NPC25565 |
Remote Similarity | 0.6351 | NPC150863 |
Remote Similarity | 0.6351 | NPC278451 |
Remote Similarity | 0.6347 | NPC49954 |
Remote Similarity | 0.6347 | NPC474561 |
Remote Similarity | 0.6337 | NPC270009 |
Remote Similarity | 0.6329 | NPC264589 |
Remote Similarity | 0.6328 | NPC471309 |
Remote Similarity | 0.632 | NPC111233 |
Remote Similarity | 0.6316 | NPC288785 |
Remote Similarity | 0.6316 | NPC474430 |
Remote Similarity | 0.6312 | NPC124005 |
Remote Similarity | 0.6312 | NPC187951 |
Remote Similarity | 0.6311 | NPC15839 |
Remote Similarity | 0.631 | NPC63751 |
Remote Similarity | 0.6308 | NPC475439 |
Remote Similarity | 0.6308 | NPC473501 |
Remote Similarity | 0.6306 | NPC472103 |
Remote Similarity | 0.6303 | NPC477158 |
Remote Similarity | 0.6301 | NPC317758 |
Remote Similarity | 0.6296 | NPC281094 |
Remote Similarity | 0.6291 | NPC324611 |
Remote Similarity | 0.628 | NPC129721 |
Remote Similarity | 0.6279 | NPC326575 |
Remote Similarity | 0.6264 | NPC192270 |
Remote Similarity | 0.6258 | NPC207554 |
Remote Similarity | 0.6257 | NPC329688 |
Remote Similarity | 0.6257 | NPC189812 |
Remote Similarity | 0.625 | NPC54988 |
Remote Similarity | 0.625 | NPC313352 |
Remote Similarity | 0.6242 | NPC471311 |
Remote Similarity | 0.6242 | NPC277157 |
Remote Similarity | 0.6242 | NPC471313 |
Remote Similarity | 0.6242 | NPC101372 |
Remote Similarity | 0.6241 | NPC291610 |
Remote Similarity | 0.6234 | NPC122553 |
Remote Similarity | 0.6234 | NPC287358 |
Remote Similarity | 0.6231 | NPC471319 |
Remote Similarity | 0.6231 | NPC471320 |
Remote Similarity | 0.6225 | NPC53044 |
Remote Similarity | 0.622 | NPC476160 |
Remote Similarity | 0.622 | NPC141353 |
Remote Similarity | 0.622 | NPC316108 |
Remote Similarity | 0.6218 | NPC471574 |
Remote Similarity | 0.6218 | NPC316202 |
Remote Similarity | 0.6211 | NPC37548 |
Remote Similarity | 0.62 | NPC472245 |
Remote Similarity | 0.62 | NPC280807 |
Remote Similarity | 0.6199 | NPC471294 |
Remote Similarity | 0.6196 | NPC106118 |
Remote Similarity | 0.6196 | NPC469760 |
Remote Similarity | 0.6196 | NPC469765 |
Remote Similarity | 0.6196 | NPC259644 |
Remote Similarity | 0.6196 | NPC25008 |
Remote Similarity | 0.6196 | NPC469763 |
Remote Similarity | 0.6196 | NPC73952 |
Remote Similarity | 0.6196 | NPC469786 |
Remote Similarity | 0.6194 | NPC314102 |
Remote Similarity | 0.6194 | NPC251722 |
Remote Similarity | 0.6194 | NPC125746 |
Remote Similarity | 0.6188 | NPC129042 |
Remote Similarity | 0.6188 | NPC469740 |
Remote Similarity | 0.6185 | NPC59269 |
Remote Similarity | 0.6182 | NPC104345 |
Remote Similarity | 0.6178 | NPC472241 |
Remote Similarity | 0.6175 | NPC471199 |
Remote Similarity | 0.6173 | NPC475763 |
Remote Similarity | 0.617 | NPC471191 |
Remote Similarity | 0.617 | NPC33742 |
Remote Similarity | 0.6169 | NPC325599 |
Remote Similarity | 0.6168 | NPC191863 |
Remote Similarity | 0.6168 | NPC133470 |
Remote Similarity | 0.6168 | NPC289776 |
Remote Similarity | 0.6163 | NPC248862 |
Remote Similarity | 0.6163 | NPC475097 |
Remote Similarity | 0.6163 | NPC475594 |
Remote Similarity | 0.6159 | NPC212376 |
Remote Similarity | 0.6159 | NPC75540 |
Remote Similarity | 0.6159 | NPC80597 |
Remote Similarity | 0.6159 | NPC70922 |
Remote Similarity | 0.6159 | NPC231382 |
Remote Similarity | 0.6159 | NPC211572 |
Remote Similarity | 0.6159 | NPC473297 |
Remote Similarity | 0.6158 | NPC307396 |
Remote Similarity | 0.6154 | NPC108339 |
Remote Similarity | 0.6154 | NPC148140 |
Remote Similarity | 0.6154 | NPC278887 |
Remote Similarity | 0.6154 | NPC160105 |
Remote Similarity | 0.6148 | NPC307456 |
Remote Similarity | 0.6145 | NPC291359 |
Remote Similarity | 0.614 | NPC158129 |
Remote Similarity | 0.6139 | NPC314287 |
Remote Similarity | 0.6131 | NPC138293 |
Remote Similarity | 0.6131 | NPC472587 |
Remote Similarity | 0.6131 | NPC113056 |
Remote Similarity | 0.6127 | NPC475607 |
Remote Similarity | 0.6127 | NPC472122 |
Remote Similarity | 0.6127 | NPC24594 |
Remote Similarity | 0.6125 | NPC478039 |
Remote Similarity | 0.6124 | NPC474707 |
Remote Similarity | 0.6121 | NPC184476 |
Remote Similarity | 0.6118 | NPC22079 |
Remote Similarity | 0.6115 | NPC301760 |
Remote Similarity | 0.6111 | NPC471638 |
Remote Similarity | 0.6111 | NPC81561 |
Remote Similarity | 0.6108 | NPC473320 |
Remote Similarity | 0.6108 | NPC27904 |
Remote Similarity | 0.6107 | NPC476249 |
Remote Similarity | 0.6107 | NPC250476 |
Remote Similarity | 0.6105 | NPC472123 |
Remote Similarity | 0.6101 | NPC136002 |
Remote Similarity | 0.6101 | NPC477890 |
Remote Similarity | 0.6096 | NPC273830 |
Remote Similarity | 0.6094 | NPC172128 |
TTD   | DIB004501 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 258.11 |
ALogP   | -0.0782 |
MLogP   | 2.23 |
XLogP   | 2.865 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 4 |
TPSA   | 80.78 |
RO5 Violation   | 0 |