Drug ID:   | NPD4549 |
Drug Name:   | ambasilide |
Molecular Formula:   | C21H25N3O |
Canonical SMILES:   | Nc1ccc(cc1)C(=O)N1CC2CN(CC(C1)C2)Cc1ccccc1 |
Standard InCHI:   | InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2 |
Standard InCHIKey:   | DLNAKYFPFYUBDR-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 | 0.8047 | NPC226143 |
Intermediate Similarity | 0.803 | NPC322433 |
Intermediate Similarity | 0.7578 | NPC57051 |
Intermediate Similarity | 0.7517 | NPC117032 |
Intermediate Similarity | 0.75 | NPC316104 |
Intermediate Similarity | 0.75 | NPC162417 |
Intermediate Similarity | 0.7464 | NPC472245 |
Intermediate Similarity | 0.7463 | NPC268534 |
Intermediate Similarity | 0.7419 | NPC38262 |
Intermediate Similarity | 0.7413 | NPC469560 |
Intermediate Similarity | 0.7388 | NPC257490 |
Intermediate Similarity | 0.7353 | NPC192533 |
Intermediate Similarity | 0.731 | NPC2823 |
Intermediate Similarity | 0.731 | NPC471164 |
Intermediate Similarity | 0.7299 | NPC470343 |
Intermediate Similarity | 0.7299 | NPC472244 |
Intermediate Similarity | 0.7292 | NPC83214 |
Intermediate Similarity | 0.7286 | NPC126458 |
Intermediate Similarity | 0.7273 | NPC471123 |
Intermediate Similarity | 0.7266 | NPC150863 |
Intermediate Similarity | 0.7239 | NPC291962 |
Intermediate Similarity | 0.7239 | NPC177684 |
Intermediate Similarity | 0.7234 | NPC207428 |
Intermediate Similarity | 0.7214 | NPC280807 |
Intermediate Similarity | 0.7214 | NPC314431 |
Intermediate Similarity | 0.7203 | NPC300299 |
Intermediate Similarity | 0.7185 | NPC112373 |
Intermediate Similarity | 0.7185 | NPC179605 |
Intermediate Similarity | 0.7185 | NPC161956 |
Intermediate Similarity | 0.7185 | NPC279385 |
Intermediate Similarity | 0.7185 | NPC258531 |
Intermediate Similarity | 0.7174 | NPC79698 |
Intermediate Similarity | 0.7152 | NPC473329 |
Intermediate Similarity | 0.7132 | NPC103292 |
Intermediate Similarity | 0.7123 | NPC130251 |
Intermediate Similarity | 0.712 | NPC291610 |
Intermediate Similarity | 0.7021 | NPC209389 |
Remote Similarity | 0.6977 | NPC172170 |
Remote Similarity | 0.6962 | NPC469741 |
Remote Similarity | 0.6953 | NPC473418 |
Remote Similarity | 0.6953 | NPC167336 |
Remote Similarity | 0.6939 | NPC319645 |
Remote Similarity | 0.6923 | NPC84317 |
Remote Similarity | 0.6918 | NPC138293 |
Remote Similarity | 0.6918 | NPC113056 |
Remote Similarity | 0.6906 | NPC254698 |
Remote Similarity | 0.6894 | NPC475248 |
Remote Similarity | 0.6894 | NPC63047 |
Remote Similarity | 0.6892 | NPC242933 |
Remote Similarity | 0.6892 | NPC472243 |
Remote Similarity | 0.6884 | NPC475915 |
Remote Similarity | 0.6875 | NPC473962 |
Remote Similarity | 0.6871 | NPC122553 |
Remote Similarity | 0.6846 | NPC301760 |
Remote Similarity | 0.6835 | NPC154478 |
Remote Similarity | 0.6832 | NPC279527 |
Remote Similarity | 0.6832 | NPC214960 |
Remote Similarity | 0.6821 | NPC136002 |
Remote Similarity | 0.68 | NPC472241 |
Remote Similarity | 0.6795 | NPC295021 |
Remote Similarity | 0.6779 | NPC207554 |
Remote Similarity | 0.6772 | NPC222029 |
Remote Similarity | 0.6772 | NPC113946 |
Remote Similarity | 0.6765 | NPC141612 |
Remote Similarity | 0.6765 | NPC17273 |
Remote Similarity | 0.6765 | NPC135601 |
Remote Similarity | 0.6755 | NPC469537 |
Remote Similarity | 0.6755 | NPC478040 |
Remote Similarity | 0.675 | NPC17497 |
Remote Similarity | 0.675 | NPC305602 |
Remote Similarity | 0.6747 | NPC14849 |
Remote Similarity | 0.6733 | NPC470301 |
Remote Similarity | 0.6733 | NPC471574 |
Remote Similarity | 0.6727 | NPC248862 |
Remote Similarity | 0.6727 | NPC328611 |
Remote Similarity | 0.6714 | NPC39818 |
Remote Similarity | 0.6708 | NPC189116 |
Remote Similarity | 0.6707 | NPC182057 |
Remote Similarity | 0.6707 | NPC318183 |
Remote Similarity | 0.6707 | NPC147298 |
Remote Similarity | 0.6707 | NPC131450 |
Remote Similarity | 0.6706 | NPC133003 |
Remote Similarity | 0.669 | NPC314098 |
Remote Similarity | 0.6667 | NPC66936 |
Remote Similarity | 0.6667 | NPC472242 |
Remote Similarity | 0.6646 | NPC472118 |
Remote Similarity | 0.6645 | NPC109787 |
Remote Similarity | 0.6644 | NPC40364 |
Remote Similarity | 0.6641 | NPC473498 |
Remote Similarity | 0.664 | NPC256452 |
Remote Similarity | 0.6627 | NPC470548 |
Remote Similarity | 0.6625 | NPC276085 |
Remote Similarity | 0.6625 | NPC36495 |
Remote Similarity | 0.6625 | NPC193410 |
Remote Similarity | 0.6623 | NPC324445 |
Remote Similarity | 0.6623 | NPC186284 |
Remote Similarity | 0.6623 | NPC22082 |
Remote Similarity | 0.6623 | NPC478039 |
Remote Similarity | 0.6601 | NPC314186 |
Remote Similarity | 0.6591 | NPC55529 |
Remote Similarity | 0.6588 | NPC470317 |
Remote Similarity | 0.6584 | NPC248117 |
Remote Similarity | 0.6571 | NPC27833 |
Remote Similarity | 0.6571 | NPC150323 |
Remote Similarity | 0.6568 | NPC286994 |
Remote Similarity | 0.6566 | NPC242269 |
Remote Similarity | 0.6566 | NPC251212 |
Remote Similarity | 0.6566 | NPC139085 |
Remote Similarity | 0.6566 | NPC214626 |
Remote Similarity | 0.6562 | NPC61013 |
Remote Similarity | 0.655 | NPC21429 |
Remote Similarity | 0.6543 | NPC99632 |
Remote Similarity | 0.6543 | NPC282339 |
Remote Similarity | 0.6528 | NPC252794 |
Remote Similarity | 0.6509 | NPC475094 |
Remote Similarity | 0.6506 | NPC292265 |
Remote Similarity | 0.6491 | NPC470205 |
Remote Similarity | 0.6481 | NPC225319 |
Remote Similarity | 0.6481 | NPC472102 |
Remote Similarity | 0.6481 | NPC309531 |
Remote Similarity | 0.6467 | NPC161861 |
Remote Similarity | 0.6467 | NPC177261 |
Remote Similarity | 0.6463 | NPC472106 |
Remote Similarity | 0.6458 | NPC474926 |
Remote Similarity | 0.6456 | NPC314223 |
Remote Similarity | 0.6456 | NPC154602 |
Remote Similarity | 0.6456 | NPC243756 |
Remote Similarity | 0.6452 | NPC191444 |
Remote Similarity | 0.6447 | NPC315051 |
Remote Similarity | 0.6442 | NPC472120 |
Remote Similarity | 0.6442 | NPC472101 |
Remote Similarity | 0.6442 | NPC194881 |
Remote Similarity | 0.6438 | NPC473297 |
Remote Similarity | 0.6434 | NPC75496 |
Remote Similarity | 0.6429 | NPC220698 |
Remote Similarity | 0.6419 | NPC53044 |
Remote Similarity | 0.6402 | NPC21174 |
Remote Similarity | 0.6402 | NPC271797 |
Remote Similarity | 0.6395 | NPC194562 |
Remote Similarity | 0.6395 | NPC187231 |
Remote Similarity | 0.6386 | NPC223595 |
Remote Similarity | 0.6386 | NPC224970 |
Remote Similarity | 0.6386 | NPC167724 |
Remote Similarity | 0.6375 | NPC478076 |
Remote Similarity | 0.6371 | NPC176858 |
Remote Similarity | 0.637 | NPC72473 |
Remote Similarity | 0.637 | NPC307437 |
Remote Similarity | 0.637 | NPC58827 |
Remote Similarity | 0.6364 | NPC275467 |
Remote Similarity | 0.6364 | NPC313293 |
Remote Similarity | 0.6364 | NPC324091 |
Remote Similarity | 0.6358 | NPC123241 |
Remote Similarity | 0.6358 | NPC104345 |
Remote Similarity | 0.6357 | NPC313449 |
Remote Similarity | 0.6346 | NPC313850 |
Remote Similarity | 0.6345 | NPC205946 |
Remote Similarity | 0.6343 | NPC434 |
Remote Similarity | 0.6341 | NPC88970 |
Remote Similarity | 0.6341 | NPC176983 |
Remote Similarity | 0.6333 | NPC253476 |
Remote Similarity | 0.6333 | NPC474473 |
Remote Similarity | 0.6331 | NPC473573 |
Remote Similarity | 0.6325 | NPC182131 |
Remote Similarity | 0.6323 | NPC308197 |
Remote Similarity | 0.6319 | NPC471122 |
Remote Similarity | 0.6316 | NPC287358 |
Remote Similarity | 0.631 | NPC355 |
Remote Similarity | 0.6299 | NPC291070 |
Remote Similarity | 0.6299 | NPC246757 |
Remote Similarity | 0.6299 | NPC43477 |
Remote Similarity | 0.6299 | NPC316202 |
Remote Similarity | 0.6296 | NPC29285 |
Remote Similarity | 0.6296 | NPC36836 |
Remote Similarity | 0.6296 | NPC302790 |
Remote Similarity | 0.6296 | NPC63370 |
Remote Similarity | 0.6294 | NPC314192 |
Remote Similarity | 0.6291 | NPC173295 |
Remote Similarity | 0.6269 | NPC45033 |
Remote Similarity | 0.6265 | NPC471130 |
Remote Similarity | 0.6265 | NPC471124 |
Remote Similarity | 0.6264 | NPC471742 |
Remote Similarity | 0.6259 | NPC246904 |
Remote Similarity | 0.6257 | NPC260075 |
Remote Similarity | 0.625 | NPC329430 |
Remote Similarity | 0.6242 | NPC472117 |
Remote Similarity | 0.6242 | NPC35510 |
Remote Similarity | 0.6242 | NPC293458 |
Remote Similarity | 0.6242 | NPC253667 |
Remote Similarity | 0.6226 | NPC237649 |
Remote Similarity | 0.6226 | NPC300596 |
Remote Similarity | 0.6226 | NPC242000 |
Remote Similarity | 0.6225 | NPC266425 |
Remote Similarity | 0.6216 | NPC122235 |
Remote Similarity | 0.6211 | NPC122106 |
Remote Similarity | 0.6211 | NPC285381 |
Remote Similarity | 0.6199 | NPC203202 |
Remote Similarity | 0.6199 | NPC471743 |
Remote Similarity | 0.6199 | NPC264482 |
Remote Similarity | 0.6197 | NPC229353 |
Remote Similarity | 0.619 | NPC119326 |
TTD   | DIB002526 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 335.20 |
ALogP   | -1.8633 |
MLogP   | 3.33 |
XLogP   | 4.098 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 49.57 |
RO5 Violation   | 0 |