Drug ID:   | NPD1100 |
Drug Name:   | Diethylpropion |
Molecular Formula:   | C13H19NO |
Canonical SMILES:   | CCN(C(C(=O)c1ccccc1)C)CC |
Standard InCHI:   | InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3 |
Standard InCHIKey:   | XXEPPPIWZFICOJ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
High Similarity | 0.883 | NPC291070 |
High Similarity | 0.883 | NPC246757 |
High Similarity | 0.87 | NPC167336 |
Intermediate Similarity | 0.8318 | NPC113099 |
Intermediate Similarity | 0.81 | NPC322598 |
Intermediate Similarity | 0.8036 | NPC27833 |
Intermediate Similarity | 0.8 | NPC36342 |
Intermediate Similarity | 0.8 | NPC285470 |
Intermediate Similarity | 0.8 | NPC2785 |
Intermediate Similarity | 0.7912 | NPC300205 |
Intermediate Similarity | 0.7889 | NPC245966 |
Intermediate Similarity | 0.7826 | NPC164086 |
Intermediate Similarity | 0.7826 | NPC190567 |
Intermediate Similarity | 0.781 | NPC473418 |
Intermediate Similarity | 0.78 | NPC256452 |
Intermediate Similarity | 0.7742 | NPC145053 |
Intermediate Similarity | 0.7642 | NPC476198 |
Intermediate Similarity | 0.7634 | NPC71664 |
Intermediate Similarity | 0.7553 | NPC273033 |
Intermediate Similarity | 0.7553 | NPC12936 |
Intermediate Similarity | 0.7525 | NPC71140 |
Intermediate Similarity | 0.75 | NPC55529 |
Intermediate Similarity | 0.7478 | NPC291962 |
Intermediate Similarity | 0.7478 | NPC177684 |
Intermediate Similarity | 0.7449 | NPC17497 |
Intermediate Similarity | 0.7449 | NPC305602 |
Intermediate Similarity | 0.7449 | NPC69057 |
Intermediate Similarity | 0.7444 | NPC285679 |
Intermediate Similarity | 0.7426 | NPC473661 |
Intermediate Similarity | 0.7414 | NPC258531 |
Intermediate Similarity | 0.7414 | NPC112373 |
Intermediate Similarity | 0.7414 | NPC161956 |
Intermediate Similarity | 0.7396 | NPC273758 |
Intermediate Similarity | 0.7368 | NPC73978 |
Intermediate Similarity | 0.7347 | NPC160339 |
Intermediate Similarity | 0.7347 | NPC307 |
Intermediate Similarity | 0.734 | NPC151405 |
Intermediate Similarity | 0.734 | NPC139901 |
Intermediate Similarity | 0.7333 | NPC74458 |
Intermediate Similarity | 0.7328 | NPC226143 |
Intermediate Similarity | 0.7315 | NPC67043 |
Intermediate Similarity | 0.7311 | NPC285394 |
Intermediate Similarity | 0.7273 | NPC43945 |
Intermediate Similarity | 0.7263 | NPC285716 |
Intermediate Similarity | 0.7263 | NPC17408 |
Intermediate Similarity | 0.7234 | NPC137847 |
Intermediate Similarity | 0.7234 | NPC76455 |
Intermediate Similarity | 0.7216 | NPC324624 |
Intermediate Similarity | 0.7216 | NPC197581 |
Intermediate Similarity | 0.7216 | NPC39600 |
Intermediate Similarity | 0.7216 | NPC215008 |
Intermediate Similarity | 0.7203 | NPC257490 |
Intermediate Similarity | 0.72 | NPC157778 |
Intermediate Similarity | 0.7188 | NPC231986 |
Intermediate Similarity | 0.7188 | NPC100039 |
Intermediate Similarity | 0.7182 | NPC172170 |
Intermediate Similarity | 0.717 | NPC12730 |
Intermediate Similarity | 0.7157 | NPC133461 |
Intermediate Similarity | 0.7157 | NPC284475 |
Intermediate Similarity | 0.7143 | NPC26285 |
Intermediate Similarity | 0.7131 | NPC305717 |
Intermediate Similarity | 0.713 | NPC202613 |
Intermediate Similarity | 0.7128 | NPC329318 |
Intermediate Similarity | 0.7111 | NPC98880 |
Intermediate Similarity | 0.7107 | NPC79698 |
Intermediate Similarity | 0.7105 | NPC57051 |
Intermediate Similarity | 0.7087 | NPC188844 |
Intermediate Similarity | 0.7087 | NPC153885 |
Intermediate Similarity | 0.7087 | NPC59677 |
Intermediate Similarity | 0.7087 | NPC155232 |
Intermediate Similarity | 0.7087 | NPC1682 |
Intermediate Similarity | 0.7083 | NPC95868 |
Intermediate Similarity | 0.7071 | NPC252067 |
Intermediate Similarity | 0.7059 | NPC173413 |
Intermediate Similarity | 0.7059 | NPC277277 |
Intermediate Similarity | 0.7053 | NPC103488 |
Intermediate Similarity | 0.7041 | NPC474088 |
Intermediate Similarity | 0.7033 | NPC95289 |
Intermediate Similarity | 0.703 | NPC267262 |
Intermediate Similarity | 0.703 | NPC473345 |
Intermediate Similarity | 0.7021 | NPC271642 |
Intermediate Similarity | 0.7021 | NPC78500 |
Intermediate Similarity | 0.7019 | NPC238219 |
Intermediate Similarity | 0.7019 | NPC474974 |
Intermediate Similarity | 0.7016 | NPC179224 |
Intermediate Similarity | 0.7 | NPC311343 |
Remote Similarity | 0.6981 | NPC293628 |
Remote Similarity | 0.6981 | NPC122493 |
Remote Similarity | 0.6981 | NPC10781 |
Remote Similarity | 0.6975 | NPC179605 |
Remote Similarity | 0.6975 | NPC279385 |
Remote Similarity | 0.6972 | NPC471317 |
Remote Similarity | 0.6967 | NPC470343 |
Remote Similarity | 0.6967 | NPC472244 |
Remote Similarity | 0.6961 | NPC418308 |
Remote Similarity | 0.6961 | NPC113307 |
Remote Similarity | 0.6957 | NPC35850 |
Remote Similarity | 0.6957 | NPC276949 |
Remote Similarity | 0.6952 | NPC260233 |
Remote Similarity | 0.6947 | NPC9796 |
Remote Similarity | 0.6937 | NPC45033 |
Remote Similarity | 0.6923 | NPC323420 |
Remote Similarity | 0.6923 | NPC239357 |
Remote Similarity | 0.6917 | NPC103292 |
Remote Similarity | 0.6915 | NPC98976 |
Remote Similarity | 0.6911 | NPC119326 |
Remote Similarity | 0.6903 | NPC158854 |
Remote Similarity | 0.6897 | NPC33742 |
Remote Similarity | 0.6893 | NPC58872 |
Remote Similarity | 0.6893 | NPC19256 |
Remote Similarity | 0.6887 | NPC185208 |
Remote Similarity | 0.6887 | NPC219573 |
Remote Similarity | 0.6869 | NPC149263 |
Remote Similarity | 0.6863 | NPC153308 |
Remote Similarity | 0.686 | NPC39818 |
Remote Similarity | 0.6857 | NPC289883 |
Remote Similarity | 0.6842 | NPC139658 |
Remote Similarity | 0.6825 | NPC126458 |
Remote Similarity | 0.6822 | NPC239185 |
Remote Similarity | 0.6822 | NPC240042 |
Remote Similarity | 0.6822 | NPC324569 |
Remote Similarity | 0.6818 | NPC164859 |
Remote Similarity | 0.6809 | NPC112609 |
Remote Similarity | 0.6809 | NPC122327 |
Remote Similarity | 0.6809 | NPC113000 |
Remote Similarity | 0.6809 | NPC208075 |
Remote Similarity | 0.6807 | NPC220698 |
Remote Similarity | 0.6804 | NPC272260 |
Remote Similarity | 0.68 | NPC150863 |
Remote Similarity | 0.6783 | NPC181390 |
Remote Similarity | 0.678 | NPC315276 |
Remote Similarity | 0.678 | NPC14672 |
Remote Similarity | 0.678 | NPC285926 |
Remote Similarity | 0.6772 | NPC473962 |
Remote Similarity | 0.6771 | NPC179726 |
Remote Similarity | 0.6759 | NPC75724 |
Remote Similarity | 0.6759 | NPC49994 |
Remote Similarity | 0.6759 | NPC134882 |
Remote Similarity | 0.6748 | NPC192533 |
Remote Similarity | 0.6746 | NPC472245 |
Remote Similarity | 0.6746 | NPC314431 |
Remote Similarity | 0.6746 | NPC280807 |
Remote Similarity | 0.6735 | NPC477703 |
Remote Similarity | 0.6733 | NPC123476 |
Remote Similarity | 0.6702 | NPC271437 |
Remote Similarity | 0.67 | NPC104070 |
Remote Similarity | 0.6695 | NPC473573 |
Remote Similarity | 0.6694 | NPC200964 |
Remote Similarity | 0.6667 | NPC254698 |
Remote Similarity | 0.6667 | NPC472788 |
Remote Similarity | 0.6667 | NPC164526 |
Remote Similarity | 0.6667 | NPC110704 |
Remote Similarity | 0.6667 | NPC265220 |
Remote Similarity | 0.6667 | NPC470926 |
Remote Similarity | 0.6667 | NPC472258 |
Remote Similarity | 0.664 | NPC322433 |
Remote Similarity | 0.664 | NPC136453 |
Remote Similarity | 0.6637 | NPC473498 |
Remote Similarity | 0.6637 | NPC327481 |
Remote Similarity | 0.6636 | NPC214200 |
Remote Similarity | 0.6636 | NPC472880 |
Remote Similarity | 0.6636 | NPC228400 |
Remote Similarity | 0.6636 | NPC476993 |
Remote Similarity | 0.6636 | NPC109514 |
Remote Similarity | 0.6635 | NPC325709 |
Remote Similarity | 0.6613 | NPC22746 |
Remote Similarity | 0.6613 | NPC222466 |
Remote Similarity | 0.661 | NPC472164 |
Remote Similarity | 0.6607 | NPC275467 |
Remote Similarity | 0.6602 | NPC53492 |
Remote Similarity | 0.6598 | NPC290638 |
Remote Similarity | 0.6598 | NPC325662 |
Remote Similarity | 0.6598 | NPC98269 |
Remote Similarity | 0.6598 | NPC298023 |
Remote Similarity | 0.6596 | NPC326200 |
Remote Similarity | 0.6587 | NPC152850 |
Remote Similarity | 0.6587 | NPC89923 |
Remote Similarity | 0.6587 | NPC71933 |
Remote Similarity | 0.6587 | NPC239990 |
Remote Similarity | 0.6587 | NPC105114 |
Remote Similarity | 0.6585 | NPC317474 |
Remote Similarity | 0.6585 | NPC213126 |
Remote Similarity | 0.6585 | NPC268534 |
Remote Similarity | 0.6585 | NPC169485 |
Remote Similarity | 0.6585 | NPC84281 |
Remote Similarity | 0.6585 | NPC291027 |
Remote Similarity | 0.6583 | NPC470545 |
Remote Similarity | 0.6581 | NPC474584 |
Remote Similarity | 0.6571 | NPC67585 |
Remote Similarity | 0.6571 | NPC303967 |
Remote Similarity | 0.6571 | NPC110420 |
Remote Similarity | 0.6566 | NPC157055 |
Remote Similarity | 0.656 | NPC101719 |
Remote Similarity | 0.6557 | NPC302169 |
Remote Similarity | 0.6555 | NPC188010 |
Remote Similarity | 0.6552 | NPC319579 |
Remote Similarity | 0.6538 | NPC316104 |
Remote Similarity | 0.6538 | NPC266425 |
Remote Similarity | 0.6538 | NPC477693 |
Remote Similarity | 0.6538 | NPC162417 |
TTD   | DAP000862; DAP001452 |
DrugBank   | DB00937 |
ChEMBL   | CHEMBL1194666 |
IUPHAR/BPS   | 7161 |
PharmaGKB   | PA164778098 |
KEGG Drug   | |
PubChem CID   | 7029 |
ChEBI   | 4530 |
CAS Number   | 90-84-6 |
Molecular Weight   | 205.15 |
ALogP   | 0.349 |
MLogP   | 2.67 |
XLogP   | 3.828 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 20.31 |
RO5 Violation   | 0 |