Drug ID:   | NPD2994 |
Drug Name:   | |
Molecular Formula:   | C18H22FNO2 |
Canonical SMILES:   | C=CCN1C2CCC1C(C(C2)c1ccc(cc1)F)C(=O)OC |
Standard InCHI:   | InChI=1S/C18H22FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h3-7,14-17H,1,8-11H2,2H3 |
Standard InCHIKey:   | BNBZBLRBYOEGLO-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 | 0.8065 | NPC291027 |
Intermediate Similarity | 0.8065 | NPC169485 |
Intermediate Similarity | 0.8065 | NPC317474 |
Intermediate Similarity | 0.8065 | NPC213126 |
Intermediate Similarity | 0.8065 | NPC84281 |
Intermediate Similarity | 0.7895 | NPC281104 |
Intermediate Similarity | 0.7731 | NPC158854 |
Intermediate Similarity | 0.7634 | NPC69496 |
Intermediate Similarity | 0.7478 | NPC322598 |
Intermediate Similarity | 0.7463 | NPC233910 |
Intermediate Similarity | 0.7463 | NPC245836 |
Intermediate Similarity | 0.7462 | NPC474847 |
Intermediate Similarity | 0.7405 | NPC65310 |
Intermediate Similarity | 0.7379 | NPC478076 |
Intermediate Similarity | 0.7364 | NPC26285 |
Intermediate Similarity | 0.7211 | NPC161827 |
Intermediate Similarity | 0.7133 | NPC225319 |
Intermediate Similarity | 0.7114 | NPC153694 |
Intermediate Similarity | 0.7114 | NPC211525 |
Intermediate Similarity | 0.7107 | NPC476198 |
Intermediate Similarity | 0.7107 | NPC167336 |
Intermediate Similarity | 0.7086 | NPC282339 |
Intermediate Similarity | 0.7086 | NPC99632 |
Intermediate Similarity | 0.7067 | NPC310403 |
Intermediate Similarity | 0.7067 | NPC243673 |
Intermediate Similarity | 0.7067 | NPC63210 |
Intermediate Similarity | 0.7067 | NPC97380 |
Intermediate Similarity | 0.7067 | NPC148468 |
Intermediate Similarity | 0.7067 | NPC263709 |
Intermediate Similarity | 0.7042 | NPC471516 |
Remote Similarity | 0.6993 | NPC52059 |
Remote Similarity | 0.6993 | NPC470069 |
Remote Similarity | 0.6954 | NPC193410 |
Remote Similarity | 0.6934 | NPC157311 |
Remote Similarity | 0.6908 | NPC248117 |
Remote Similarity | 0.6908 | NPC474058 |
Remote Similarity | 0.6901 | NPC269398 |
Remote Similarity | 0.6901 | NPC263493 |
Remote Similarity | 0.6887 | NPC61013 |
Remote Similarity | 0.6887 | NPC113946 |
Remote Similarity | 0.6884 | NPC8761 |
Remote Similarity | 0.6884 | NPC44805 |
Remote Similarity | 0.6875 | NPC209509 |
Remote Similarity | 0.687 | NPC84288 |
Remote Similarity | 0.6867 | NPC473297 |
Remote Similarity | 0.6866 | NPC285394 |
Remote Similarity | 0.6857 | NPC260045 |
Remote Similarity | 0.6857 | NPC79465 |
Remote Similarity | 0.6857 | NPC118099 |
Remote Similarity | 0.6857 | NPC474787 |
Remote Similarity | 0.6857 | NPC293377 |
Remote Similarity | 0.6857 | NPC476102 |
Remote Similarity | 0.6857 | NPC475598 |
Remote Similarity | 0.6857 | NPC90194 |
Remote Similarity | 0.6857 | NPC76785 |
Remote Similarity | 0.6857 | NPC474855 |
Remote Similarity | 0.6857 | NPC151706 |
Remote Similarity | 0.6857 | NPC273907 |
Remote Similarity | 0.6857 | NPC474811 |
Remote Similarity | 0.6857 | NPC49577 |
Remote Similarity | 0.6857 | NPC9687 |
Remote Similarity | 0.6857 | NPC475318 |
Remote Similarity | 0.6839 | NPC472114 |
Remote Similarity | 0.6839 | NPC472115 |
Remote Similarity | 0.6833 | NPC12730 |
Remote Similarity | 0.6829 | NPC67043 |
Remote Similarity | 0.6829 | NPC473418 |
Remote Similarity | 0.6809 | NPC471265 |
Remote Similarity | 0.6809 | NPC471264 |
Remote Similarity | 0.6795 | NPC224970 |
Remote Similarity | 0.6795 | NPC167724 |
Remote Similarity | 0.6795 | NPC223595 |
Remote Similarity | 0.6772 | NPC476425 |
Remote Similarity | 0.6761 | NPC178662 |
Remote Similarity | 0.6761 | NPC92784 |
Remote Similarity | 0.6761 | NPC470884 |
Remote Similarity | 0.6761 | NPC98424 |
Remote Similarity | 0.6761 | NPC476133 |
Remote Similarity | 0.6744 | NPC33742 |
Remote Similarity | 0.6736 | NPC161069 |
Remote Similarity | 0.6733 | NPC68967 |
Remote Similarity | 0.6732 | NPC36495 |
Remote Similarity | 0.6715 | NPC152850 |
Remote Similarity | 0.6715 | NPC89923 |
Remote Similarity | 0.6715 | NPC71933 |
Remote Similarity | 0.6715 | NPC239990 |
Remote Similarity | 0.6715 | NPC105114 |
Remote Similarity | 0.6694 | NPC7435 |
Remote Similarity | 0.6692 | NPC200964 |
Remote Similarity | 0.6692 | NPC80150 |
Remote Similarity | 0.6692 | NPC197470 |
Remote Similarity | 0.669 | NPC476978 |
Remote Similarity | 0.6687 | NPC476441 |
Remote Similarity | 0.6667 | NPC123241 |
Remote Similarity | 0.6667 | NPC10781 |
Remote Similarity | 0.6667 | NPC293628 |
Remote Similarity | 0.6667 | NPC86987 |
Remote Similarity | 0.6667 | NPC231986 |
Remote Similarity | 0.6667 | NPC298851 |
Remote Similarity | 0.6667 | NPC181138 |
Remote Similarity | 0.6667 | NPC276993 |
Remote Similarity | 0.6667 | NPC226041 |
Remote Similarity | 0.6667 | NPC210415 |
Remote Similarity | 0.6667 | NPC324569 |
Remote Similarity | 0.6667 | NPC21752 |
Remote Similarity | 0.6667 | NPC6975 |
Remote Similarity | 0.6667 | NPC293255 |
Remote Similarity | 0.6667 | NPC310467 |
Remote Similarity | 0.6667 | NPC122493 |
Remote Similarity | 0.6645 | NPC293458 |
Remote Similarity | 0.6644 | NPC5620 |
Remote Similarity | 0.6642 | NPC136453 |
Remote Similarity | 0.6641 | NPC14672 |
Remote Similarity | 0.6641 | NPC315276 |
Remote Similarity | 0.6641 | NPC285926 |
Remote Similarity | 0.6624 | NPC214960 |
Remote Similarity | 0.6624 | NPC279527 |
Remote Similarity | 0.6623 | NPC133817 |
Remote Similarity | 0.6623 | NPC476443 |
Remote Similarity | 0.6622 | NPC240848 |
Remote Similarity | 0.6614 | NPC292758 |
Remote Similarity | 0.6614 | NPC65855 |
Remote Similarity | 0.6601 | NPC29285 |
Remote Similarity | 0.6597 | NPC239762 |
Remote Similarity | 0.6597 | NPC163392 |
Remote Similarity | 0.6596 | NPC313663 |
Remote Similarity | 0.6591 | NPC169328 |
Remote Similarity | 0.6589 | NPC474584 |
Remote Similarity | 0.6584 | NPC203202 |
Remote Similarity | 0.6584 | NPC264482 |
Remote Similarity | 0.6577 | NPC2501 |
Remote Similarity | 0.6575 | NPC475128 |
Remote Similarity | 0.6571 | NPC255447 |
Remote Similarity | 0.6567 | NPC190663 |
Remote Similarity | 0.6562 | NPC319579 |
Remote Similarity | 0.6557 | NPC221825 |
Remote Similarity | 0.6556 | NPC122590 |
Remote Similarity | 0.6555 | NPC474974 |
Remote Similarity | 0.6554 | NPC138775 |
Remote Similarity | 0.6549 | NPC44830 |
Remote Similarity | 0.6549 | NPC288903 |
Remote Similarity | 0.6547 | NPC473322 |
Remote Similarity | 0.6544 | NPC175726 |
Remote Similarity | 0.6544 | NPC474082 |
Remote Similarity | 0.6538 | NPC276949 |
Remote Similarity | 0.6538 | NPC472120 |
Remote Similarity | 0.6538 | NPC472121 |
Remote Similarity | 0.6538 | NPC472101 |
Remote Similarity | 0.6538 | NPC35850 |
Remote Similarity | 0.6532 | NPC164859 |
Remote Similarity | 0.6531 | NPC322878 |
Remote Similarity | 0.6531 | NPC316008 |
Remote Similarity | 0.6531 | NPC313867 |
Remote Similarity | 0.6519 | NPC278887 |
Remote Similarity | 0.6519 | NPC202521 |
Remote Similarity | 0.6512 | NPC329011 |
Remote Similarity | 0.6508 | NPC327481 |
Remote Similarity | 0.6508 | NPC191215 |
Remote Similarity | 0.6508 | NPC474111 |
Remote Similarity | 0.6508 | NPC274089 |
Remote Similarity | 0.6508 | NPC329705 |
Remote Similarity | 0.6507 | NPC57976 |
Remote Similarity | 0.6503 | NPC6974 |
Remote Similarity | 0.6503 | NPC99043 |
Remote Similarity | 0.6503 | NPC218594 |
Remote Similarity | 0.65 | NPC256452 |
Remote Similarity | 0.6496 | NPC9822 |
Remote Similarity | 0.649 | NPC162104 |
Remote Similarity | 0.6489 | NPC472164 |
Remote Similarity | 0.6486 | NPC262077 |
Remote Similarity | 0.6486 | NPC297322 |
Remote Similarity | 0.6486 | NPC314358 |
Remote Similarity | 0.6474 | NPC309531 |
Remote Similarity | 0.6474 | NPC472102 |
Remote Similarity | 0.6471 | NPC160493 |
Remote Similarity | 0.6467 | NPC129666 |
Remote Similarity | 0.6466 | NPC322387 |
Remote Similarity | 0.6463 | NPC315283 |
Remote Similarity | 0.6463 | NPC52748 |
Remote Similarity | 0.6463 | NPC314388 |
Remote Similarity | 0.6456 | NPC472106 |
Remote Similarity | 0.6454 | NPC130309 |
Remote Similarity | 0.6452 | NPC474112 |
Remote Similarity | 0.6449 | NPC47667 |
Remote Similarity | 0.6444 | NPC476990 |
Remote Similarity | 0.6444 | NPC478016 |
Remote Similarity | 0.6444 | NPC478014 |
Remote Similarity | 0.6444 | NPC478015 |
Remote Similarity | 0.6443 | NPC260194 |
Remote Similarity | 0.6443 | NPC225648 |
Remote Similarity | 0.6443 | NPC329761 |
Remote Similarity | 0.6442 | NPC476326 |
Remote Similarity | 0.6441 | NPC274455 |
Remote Similarity | 0.6441 | NPC70940 |
Remote Similarity | 0.6441 | NPC86670 |
Remote Similarity | 0.6439 | NPC188010 |
Remote Similarity | 0.6439 | NPC473573 |
Remote Similarity | 0.6435 | NPC294134 |
Remote Similarity | 0.6434 | NPC248283 |
Remote Similarity | 0.6433 | NPC472117 |
TTD   | DIB013537 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 303.16 |
ALogP   | 0.623 |
MLogP   | 3 |
XLogP   | 3.814 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 29.54 |
RO5 Violation   | 0 |