Drug ID:   | NPD1298 |
Drug Name:   | brofaromine |
Molecular Formula:   | C14H16BrNO2 |
Canonical SMILES:   | COc1cc2cc(oc2c(c1)Br)C1CCNCC1 |
Standard InCHI:   | InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3 |
Standard InCHIKey:   | WZXHSWVDAYOFPE-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 |
---|---|---|
Remote Similarity | 0.6807 | NPC224657 |
Remote Similarity | 0.6798 | NPC98926 |
Remote Similarity | 0.678 | NPC469978 |
Remote Similarity | 0.6776 | NPC476443 |
Remote Similarity | 0.6776 | NPC133817 |
Remote Similarity | 0.6744 | NPC265793 |
Remote Similarity | 0.6737 | NPC227683 |
Remote Similarity | 0.6722 | NPC17816 |
Remote Similarity | 0.6686 | NPC233707 |
Remote Similarity | 0.6686 | NPC62735 |
Remote Similarity | 0.6685 | NPC84721 |
Remote Similarity | 0.6685 | NPC290927 |
Remote Similarity | 0.6684 | NPC121400 |
Remote Similarity | 0.6667 | NPC26353 |
Remote Similarity | 0.6667 | NPC106372 |
Remote Similarity | 0.6667 | NPC278832 |
Remote Similarity | 0.6667 | NPC178097 |
Remote Similarity | 0.6667 | NPC170169 |
Remote Similarity | 0.6667 | NPC58668 |
Remote Similarity | 0.6667 | NPC163029 |
Remote Similarity | 0.6667 | NPC64157 |
Remote Similarity | 0.6649 | NPC129578 |
Remote Similarity | 0.6649 | NPC233776 |
Remote Similarity | 0.6648 | NPC469642 |
Remote Similarity | 0.6648 | NPC178202 |
Remote Similarity | 0.6648 | NPC112757 |
Remote Similarity | 0.6647 | NPC209858 |
Remote Similarity | 0.6633 | NPC64066 |
Remote Similarity | 0.663 | NPC470088 |
Remote Similarity | 0.663 | NPC60211 |
Remote Similarity | 0.663 | NPC207624 |
Remote Similarity | 0.6629 | NPC27220 |
Remote Similarity | 0.6629 | NPC29638 |
Remote Similarity | 0.6629 | NPC130976 |
Remote Similarity | 0.6627 | NPC298884 |
Remote Similarity | 0.6618 | NPC157958 |
Remote Similarity | 0.6613 | NPC261484 |
Remote Similarity | 0.6613 | NPC45131 |
Remote Similarity | 0.6612 | NPC78335 |
Remote Similarity | 0.6612 | NPC230713 |
Remote Similarity | 0.6612 | NPC472406 |
Remote Similarity | 0.6612 | NPC167576 |
Remote Similarity | 0.6611 | NPC155144 |
Remote Similarity | 0.6607 | NPC470858 |
Remote Similarity | 0.6598 | NPC309692 |
Remote Similarity | 0.6595 | NPC183874 |
Remote Similarity | 0.6593 | NPC63256 |
Remote Similarity | 0.6593 | NPC10304 |
Remote Similarity | 0.6592 | NPC313036 |
Remote Similarity | 0.6591 | NPC98395 |
Remote Similarity | 0.6588 | NPC196034 |
Remote Similarity | 0.6576 | NPC193976 |
Remote Similarity | 0.6576 | NPC135103 |
Remote Similarity | 0.6576 | NPC23668 |
Remote Similarity | 0.6576 | NPC115324 |
Remote Similarity | 0.6576 | NPC149085 |
Remote Similarity | 0.6575 | NPC190572 |
Remote Similarity | 0.6575 | NPC231013 |
Remote Similarity | 0.6573 | NPC145673 |
Remote Similarity | 0.657 | NPC279596 |
Remote Similarity | 0.6561 | NPC269117 |
Remote Similarity | 0.6561 | NPC35345 |
Remote Similarity | 0.6559 | NPC3273 |
Remote Similarity | 0.6559 | NPC268008 |
Remote Similarity | 0.6559 | NPC148938 |
Remote Similarity | 0.6559 | NPC473193 |
Remote Similarity | 0.6559 | NPC198490 |
Remote Similarity | 0.6557 | NPC238366 |
Remote Similarity | 0.6557 | NPC37226 |
Remote Similarity | 0.6557 | NPC266499 |
Remote Similarity | 0.6557 | NPC226644 |
Remote Similarity | 0.6556 | NPC17262 |
Remote Similarity | 0.6556 | NPC296085 |
Remote Similarity | 0.6554 | NPC475012 |
Remote Similarity | 0.6552 | NPC324117 |
Remote Similarity | 0.6545 | NPC246214 |
Remote Similarity | 0.6545 | NPC37183 |
Remote Similarity | 0.6545 | NPC90245 |
Remote Similarity | 0.6543 | NPC196879 |
Remote Similarity | 0.6543 | NPC16935 |
Remote Similarity | 0.6541 | NPC5871 |
Remote Similarity | 0.6541 | NPC130015 |
Remote Similarity | 0.6541 | NPC38361 |
Remote Similarity | 0.6541 | NPC142308 |
Remote Similarity | 0.6541 | NPC125300 |
Remote Similarity | 0.6538 | NPC113428 |
Remote Similarity | 0.6538 | NPC198427 |
Remote Similarity | 0.6538 | NPC469539 |
Remote Similarity | 0.6538 | NPC469540 |
Remote Similarity | 0.6538 | NPC61284 |
Remote Similarity | 0.6538 | NPC150215 |
Remote Similarity | 0.6536 | NPC254010 |
Remote Similarity | 0.6535 | NPC174783 |
Remote Similarity | 0.6534 | NPC128877 |
Remote Similarity | 0.6532 | NPC118253 |
Remote Similarity | 0.6526 | NPC312056 |
Remote Similarity | 0.6526 | NPC84515 |
Remote Similarity | 0.6524 | NPC305490 |
Remote Similarity | 0.6524 | NPC180924 |
Remote Similarity | 0.6522 | NPC191104 |
Remote Similarity | 0.6522 | NPC13282 |
Remote Similarity | 0.6519 | NPC208584 |
Remote Similarity | 0.6517 | NPC262635 |
Remote Similarity | 0.6517 | NPC308571 |
Remote Similarity | 0.6517 | NPC908 |
Remote Similarity | 0.6517 | NPC138438 |
Remote Similarity | 0.6512 | NPC278787 |
Remote Similarity | 0.651 | NPC277480 |
Remote Similarity | 0.6508 | NPC139876 |
Remote Similarity | 0.6508 | NPC298093 |
Remote Similarity | 0.6505 | NPC473194 |
Remote Similarity | 0.6505 | NPC213608 |
Remote Similarity | 0.6505 | NPC72370 |
Remote Similarity | 0.6505 | NPC244371 |
Remote Similarity | 0.6505 | NPC472462 |
Remote Similarity | 0.6505 | NPC1477 |
Remote Similarity | 0.6505 | NPC235333 |
Remote Similarity | 0.6503 | NPC186397 |
Remote Similarity | 0.6503 | NPC469711 |
Remote Similarity | 0.6503 | NPC37135 |
Remote Similarity | 0.6502 | NPC204580 |
Remote Similarity | 0.65 | NPC53192 |
Remote Similarity | 0.65 | NPC169479 |
Remote Similarity | 0.65 | NPC159855 |
Remote Similarity | 0.65 | NPC158871 |
Remote Similarity | 0.6495 | NPC190351 |
Remote Similarity | 0.6492 | NPC65846 |
Remote Similarity | 0.6492 | NPC133065 |
Remote Similarity | 0.6492 | NPC477255 |
Remote Similarity | 0.6491 | NPC50583 |
Remote Similarity | 0.649 | NPC126211 |
Remote Similarity | 0.6489 | NPC164110 |
Remote Similarity | 0.6489 | NPC196448 |
Remote Similarity | 0.6489 | NPC96342 |
Remote Similarity | 0.6489 | NPC76458 |
Remote Similarity | 0.6489 | NPC258644 |
Remote Similarity | 0.6489 | NPC82733 |
Remote Similarity | 0.6489 | NPC246647 |
Remote Similarity | 0.6489 | NPC212967 |
Remote Similarity | 0.6488 | NPC141252 |
Remote Similarity | 0.6488 | NPC11799 |
Remote Similarity | 0.6484 | NPC308799 |
Remote Similarity | 0.6484 | NPC300267 |
Remote Similarity | 0.6484 | NPC51641 |
Remote Similarity | 0.648 | NPC171094 |
Remote Similarity | 0.6477 | NPC470566 |
Remote Similarity | 0.6477 | NPC472894 |
Remote Similarity | 0.6477 | NPC471316 |
Remote Similarity | 0.6474 | NPC158078 |
Remote Similarity | 0.6474 | NPC301717 |
Remote Similarity | 0.6474 | NPC188486 |
Remote Similarity | 0.6474 | NPC141549 |
Remote Similarity | 0.6474 | NPC30655 |
Remote Similarity | 0.6474 | NPC45124 |
Remote Similarity | 0.6474 | NPC74854 |
Remote Similarity | 0.6474 | NPC24761 |
Remote Similarity | 0.6474 | NPC264293 |
Remote Similarity | 0.6471 | NPC297531 |
Remote Similarity | 0.6471 | NPC213936 |
Remote Similarity | 0.6471 | NPC83019 |
Remote Similarity | 0.6471 | NPC99199 |
Remote Similarity | 0.6467 | NPC88445 |
Remote Similarity | 0.6467 | NPC223988 |
Remote Similarity | 0.6464 | NPC302181 |
Remote Similarity | 0.6464 | NPC71629 |
Remote Similarity | 0.6462 | NPC35680 |
Remote Similarity | 0.6461 | NPC18457 |
Remote Similarity | 0.6458 | NPC39306 |
Remote Similarity | 0.6458 | NPC291110 |
Remote Similarity | 0.6458 | NPC36320 |
Remote Similarity | 0.6457 | NPC247743 |
Remote Similarity | 0.6455 | NPC153631 |
Remote Similarity | 0.6455 | NPC471541 |
Remote Similarity | 0.6455 | NPC40583 |
Remote Similarity | 0.6455 | NPC15764 |
Remote Similarity | 0.6455 | NPC250076 |
Remote Similarity | 0.6455 | NPC226287 |
Remote Similarity | 0.6455 | NPC472299 |
Remote Similarity | 0.6452 | NPC253872 |
Remote Similarity | 0.6452 | NPC294870 |
Remote Similarity | 0.645 | NPC469437 |
Remote Similarity | 0.6448 | NPC12148 |
Remote Similarity | 0.6448 | NPC130581 |
Remote Similarity | 0.6448 | NPC205522 |
Remote Similarity | 0.6448 | NPC74539 |
Remote Similarity | 0.6448 | NPC304443 |
Remote Similarity | 0.6443 | NPC470567 |
Remote Similarity | 0.6443 | NPC329992 |
Remote Similarity | 0.6441 | NPC40321 |
Remote Similarity | 0.6437 | NPC470859 |
Remote Similarity | 0.6436 | NPC227953 |
Remote Similarity | 0.6436 | NPC261090 |
Remote Similarity | 0.6432 | NPC148423 |
Remote Similarity | 0.6432 | NPC179183 |
Remote Similarity | 0.6432 | NPC214629 |
Remote Similarity | 0.6432 | NPC135303 |
Remote Similarity | 0.6429 | NPC246903 |
Remote Similarity | 0.6429 | NPC230943 |
Remote Similarity | 0.6425 | NPC67346 |
Remote Similarity | 0.6425 | NPC67450 |
TTD   | DIB009881 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 309.04 |
ALogP   | -0.5964 |
MLogP   | 2.56 |
XLogP   | 2.851 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 34.4 |
RO5 Violation   | 0 |