Drug ID:   | NPD2840 |
Drug Name:   | |
Molecular Formula:   | C18H18N2O |
Canonical SMILES:   | Cc1ccc2c(c1)n(C(C)C)c(=O)nc2c1ccccc1 |
Standard InCHI:   | InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3 |
Standard InCHIKey:   | JTIGKVIOEQASGT-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 |
---|---|---|
Intermediate Similarity | 0.8279 | NPC187036 |
Intermediate Similarity | 0.816 | NPC192209 |
Intermediate Similarity | 0.8016 | NPC313449 |
Intermediate Similarity | 0.7984 | NPC296163 |
Intermediate Similarity | 0.7857 | NPC288232 |
Intermediate Similarity | 0.7559 | NPC314141 |
Intermediate Similarity | 0.7538 | NPC264580 |
Intermediate Similarity | 0.7521 | NPC291610 |
Intermediate Similarity | 0.75 | NPC325599 |
Intermediate Similarity | 0.75 | NPC117032 |
Intermediate Similarity | 0.7445 | NPC9856 |
Intermediate Similarity | 0.744 | NPC302790 |
Intermediate Similarity | 0.7426 | NPC476950 |
Intermediate Similarity | 0.7299 | NPC478079 |
Intermediate Similarity | 0.7214 | NPC476685 |
Intermediate Similarity | 0.7214 | NPC476689 |
Intermediate Similarity | 0.7214 | NPC53044 |
Intermediate Similarity | 0.7214 | NPC476687 |
Intermediate Similarity | 0.7183 | NPC300299 |
Intermediate Similarity | 0.7181 | NPC109787 |
Intermediate Similarity | 0.7124 | NPC51054 |
Intermediate Similarity | 0.7123 | NPC238499 |
Intermediate Similarity | 0.7113 | NPC184437 |
Intermediate Similarity | 0.7101 | NPC252794 |
Intermediate Similarity | 0.7055 | NPC471574 |
Intermediate Similarity | 0.7055 | NPC22082 |
Intermediate Similarity | 0.7055 | NPC186284 |
Intermediate Similarity | 0.7034 | NPC469560 |
Intermediate Similarity | 0.7031 | NPC164802 |
Intermediate Similarity | 0.7014 | NPC471123 |
Remote Similarity | 0.6985 | NPC257490 |
Remote Similarity | 0.6933 | NPC469735 |
Remote Similarity | 0.6929 | NPC145754 |
Remote Similarity | 0.6918 | NPC251722 |
Remote Similarity | 0.6918 | NPC314102 |
Remote Similarity | 0.6918 | NPC83214 |
Remote Similarity | 0.6913 | NPC20144 |
Remote Similarity | 0.6913 | NPC136002 |
Remote Similarity | 0.6897 | NPC267508 |
Remote Similarity | 0.6889 | NPC81561 |
Remote Similarity | 0.6887 | NPC469740 |
Remote Similarity | 0.6879 | NPC68650 |
Remote Similarity | 0.6863 | NPC33421 |
Remote Similarity | 0.6861 | NPC475915 |
Remote Similarity | 0.6859 | NPC104345 |
Remote Similarity | 0.6838 | NPC291962 |
Remote Similarity | 0.6838 | NPC162689 |
Remote Similarity | 0.6838 | NPC177684 |
Remote Similarity | 0.6838 | NPC54102 |
Remote Similarity | 0.6824 | NPC2823 |
Remote Similarity | 0.6824 | NPC104483 |
Remote Similarity | 0.6822 | NPC79618 |
Remote Similarity | 0.6821 | NPC470440 |
Remote Similarity | 0.6815 | NPC148140 |
Remote Similarity | 0.6815 | NPC318065 |
Remote Similarity | 0.6815 | NPC6436 |
Remote Similarity | 0.6815 | NPC206819 |
Remote Similarity | 0.6788 | NPC161956 |
Remote Similarity | 0.6788 | NPC112373 |
Remote Similarity | 0.6788 | NPC316582 |
Remote Similarity | 0.6788 | NPC258531 |
Remote Similarity | 0.6786 | NPC122718 |
Remote Similarity | 0.6774 | NPC281094 |
Remote Similarity | 0.6765 | NPC228515 |
Remote Similarity | 0.6757 | NPC130251 |
Remote Similarity | 0.6753 | NPC66936 |
Remote Similarity | 0.6736 | NPC22079 |
Remote Similarity | 0.6733 | NPC277157 |
Remote Similarity | 0.6715 | NPC226143 |
Remote Similarity | 0.6711 | NPC301760 |
Remote Similarity | 0.6687 | NPC478182 |
Remote Similarity | 0.6667 | NPC254798 |
Remote Similarity | 0.6667 | NPC478186 |
Remote Similarity | 0.6644 | NPC313352 |
Remote Similarity | 0.6644 | NPC243162 |
Remote Similarity | 0.6644 | NPC207554 |
Remote Similarity | 0.6642 | NPC220698 |
Remote Similarity | 0.6626 | NPC194411 |
Remote Similarity | 0.6625 | NPC194881 |
Remote Similarity | 0.6625 | NPC476231 |
Remote Similarity | 0.6624 | NPC476219 |
Remote Similarity | 0.6623 | NPC63157 |
Remote Similarity | 0.6623 | NPC473868 |
Remote Similarity | 0.6621 | NPC207428 |
Remote Similarity | 0.6619 | NPC215519 |
Remote Similarity | 0.6604 | NPC276085 |
Remote Similarity | 0.6604 | NPC56765 |
Remote Similarity | 0.6601 | NPC469525 |
Remote Similarity | 0.66 | NPC88097 |
Remote Similarity | 0.6585 | NPC355 |
Remote Similarity | 0.6581 | NPC37548 |
Remote Similarity | 0.6577 | NPC150259 |
Remote Similarity | 0.6577 | NPC125746 |
Remote Similarity | 0.6565 | NPC434 |
Remote Similarity | 0.6561 | NPC200214 |
Remote Similarity | 0.6557 | NPC78154 |
Remote Similarity | 0.6556 | NPC59084 |
Remote Similarity | 0.6556 | NPC2949 |
Remote Similarity | 0.6554 | NPC198988 |
Remote Similarity | 0.6547 | NPC317564 |
Remote Similarity | 0.6543 | NPC195507 |
Remote Similarity | 0.6543 | NPC2165 |
Remote Similarity | 0.6541 | NPC222029 |
Remote Similarity | 0.6538 | NPC206592 |
Remote Similarity | 0.6533 | NPC169433 |
Remote Similarity | 0.6525 | NPC328683 |
Remote Similarity | 0.6525 | NPC283130 |
Remote Similarity | 0.6519 | NPC476297 |
Remote Similarity | 0.6516 | NPC21605 |
Remote Similarity | 0.651 | NPC325252 |
Remote Similarity | 0.6508 | NPC472258 |
Remote Similarity | 0.6506 | NPC37423 |
Remote Similarity | 0.6506 | NPC275305 |
Remote Similarity | 0.6504 | NPC470926 |
Remote Similarity | 0.6503 | NPC250476 |
Remote Similarity | 0.65 | NPC475990 |
Remote Similarity | 0.65 | NPC41257 |
Remote Similarity | 0.65 | NPC293487 |
Remote Similarity | 0.6494 | NPC204141 |
Remote Similarity | 0.6491 | NPC307396 |
Remote Similarity | 0.649 | NPC312092 |
Remote Similarity | 0.6489 | NPC473498 |
Remote Similarity | 0.6488 | NPC176199 |
Remote Similarity | 0.6488 | NPC215795 |
Remote Similarity | 0.6481 | NPC472587 |
Remote Similarity | 0.6479 | NPC46358 |
Remote Similarity | 0.6474 | NPC187951 |
Remote Similarity | 0.6474 | NPC473329 |
Remote Similarity | 0.6463 | NPC475450 |
Remote Similarity | 0.6462 | NPC275467 |
Remote Similarity | 0.6456 | NPC471132 |
Remote Similarity | 0.6456 | NPC200743 |
Remote Similarity | 0.6453 | NPC141612 |
Remote Similarity | 0.6453 | NPC17273 |
Remote Similarity | 0.6453 | NPC135601 |
Remote Similarity | 0.6452 | NPC212799 |
Remote Similarity | 0.6446 | NPC161861 |
Remote Similarity | 0.6442 | NPC471130 |
Remote Similarity | 0.6438 | NPC286427 |
Remote Similarity | 0.6438 | NPC231382 |
Remote Similarity | 0.6434 | NPC239854 |
Remote Similarity | 0.6433 | NPC40070 |
Remote Similarity | 0.6429 | NPC179605 |
Remote Similarity | 0.6429 | NPC14325 |
Remote Similarity | 0.6429 | NPC242556 |
Remote Similarity | 0.6429 | NPC68354 |
Remote Similarity | 0.6429 | NPC116519 |
Remote Similarity | 0.6429 | NPC28848 |
Remote Similarity | 0.6429 | NPC279385 |
Remote Similarity | 0.6424 | NPC65080 |
Remote Similarity | 0.6415 | NPC470507 |
Remote Similarity | 0.6415 | NPC38736 |
Remote Similarity | 0.6414 | NPC150863 |
Remote Similarity | 0.641 | NPC477134 |
Remote Similarity | 0.6405 | NPC469537 |
Remote Similarity | 0.6402 | NPC478183 |
Remote Similarity | 0.64 | NPC218268 |
Remote Similarity | 0.6385 | NPC474430 |
Remote Similarity | 0.6383 | NPC103292 |
Remote Similarity | 0.6382 | NPC73767 |
Remote Similarity | 0.638 | NPC478184 |
Remote Similarity | 0.638 | NPC271797 |
Remote Similarity | 0.638 | NPC21174 |
Remote Similarity | 0.6375 | NPC94167 |
Remote Similarity | 0.6375 | NPC172937 |
Remote Similarity | 0.6375 | NPC84317 |
Remote Similarity | 0.6375 | NPC285469 |
Remote Similarity | 0.6364 | NPC63047 |
Remote Similarity | 0.6364 | NPC475248 |
Remote Similarity | 0.6358 | NPC215584 |
Remote Similarity | 0.6358 | NPC255229 |
Remote Similarity | 0.6358 | NPC81229 |
Remote Similarity | 0.6358 | NPC44773 |
Remote Similarity | 0.6353 | NPC91179 |
Remote Similarity | 0.6352 | NPC295021 |
Remote Similarity | 0.6346 | NPC143872 |
Remote Similarity | 0.6345 | NPC250361 |
Remote Similarity | 0.634 | NPC469768 |
Remote Similarity | 0.634 | NPC469779 |
Remote Similarity | 0.634 | NPC469767 |
Remote Similarity | 0.634 | NPC469780 |
Remote Similarity | 0.634 | NPC469783 |
Remote Similarity | 0.634 | NPC469784 |
Remote Similarity | 0.634 | NPC469761 |
Remote Similarity | 0.6338 | NPC39818 |
Remote Similarity | 0.6335 | NPC299594 |
Remote Similarity | 0.6329 | NPC243756 |
Remote Similarity | 0.6329 | NPC154602 |
Remote Similarity | 0.6327 | NPC473587 |
Remote Similarity | 0.6325 | NPC91895 |
Remote Similarity | 0.632 | NPC108800 |
Remote Similarity | 0.6319 | NPC478185 |
Remote Similarity | 0.6319 | NPC88970 |
Remote Similarity | 0.6309 | NPC473930 |
Remote Similarity | 0.6309 | NPC162417 |
Remote Similarity | 0.6309 | NPC316104 |
Remote Similarity | 0.6299 | NPC469766 |
Remote Similarity | 0.6299 | NPC308197 |
Remote Similarity | 0.6296 | NPC474880 |
Remote Similarity | 0.6296 | NPC221786 |
TTD   | DIB012618 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 278.14 |
ALogP   | -0.174 |
MLogP   | 3.11 |
XLogP   | 5.774 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 32.67 |
RO5 Violation   | 1 |