Drug ID:   | NPD813 |
Drug Name:   | Diethyltoluamide |
Molecular Formula:   | C12H17NO |
Canonical SMILES:   | CCN(C(=O)c1cccc(c1)C)CC |
Standard InCHI:   | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
Standard InCHIKey:   | MMOXZBCLCQITDF-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.8381 | NPC55529 |
Intermediate Similarity | 0.82 | NPC256452 |
Intermediate Similarity | 0.8041 | NPC305602 |
Intermediate Similarity | 0.8041 | NPC17497 |
Intermediate Similarity | 0.7881 | NPC79698 |
Intermediate Similarity | 0.7822 | NPC473661 |
Intermediate Similarity | 0.7745 | NPC71140 |
Intermediate Similarity | 0.7685 | NPC167336 |
Intermediate Similarity | 0.7589 | NPC181390 |
Intermediate Similarity | 0.7573 | NPC474974 |
Intermediate Similarity | 0.7561 | NPC126458 |
Intermediate Similarity | 0.75 | NPC473962 |
Intermediate Similarity | 0.7447 | NPC271642 |
Intermediate Similarity | 0.7404 | NPC246757 |
Intermediate Similarity | 0.7404 | NPC291070 |
Intermediate Similarity | 0.7364 | NPC473418 |
Intermediate Similarity | 0.734 | NPC98976 |
Intermediate Similarity | 0.7311 | NPC27833 |
Intermediate Similarity | 0.7304 | NPC57051 |
Intermediate Similarity | 0.7227 | NPC177684 |
Intermediate Similarity | 0.7227 | NPC291962 |
Intermediate Similarity | 0.7227 | NPC226143 |
Intermediate Similarity | 0.7207 | NPC476198 |
Intermediate Similarity | 0.7167 | NPC161956 |
Intermediate Similarity | 0.7167 | NPC112373 |
Intermediate Similarity | 0.7167 | NPC258531 |
Intermediate Similarity | 0.7143 | NPC45033 |
Intermediate Similarity | 0.7143 | NPC190567 |
Intermediate Similarity | 0.7113 | NPC2785 |
Intermediate Similarity | 0.7113 | NPC36342 |
Intermediate Similarity | 0.7113 | NPC285470 |
Intermediate Similarity | 0.7109 | NPC162417 |
Intermediate Similarity | 0.7109 | NPC316104 |
Intermediate Similarity | 0.7109 | NPC266425 |
Intermediate Similarity | 0.71 | NPC474088 |
Intermediate Similarity | 0.7097 | NPC322433 |
Intermediate Similarity | 0.7071 | NPC145053 |
Intermediate Similarity | 0.7059 | NPC160339 |
Intermediate Similarity | 0.7059 | NPC307 |
Intermediate Similarity | 0.7041 | NPC300205 |
Intermediate Similarity | 0.701 | NPC245966 |
Remote Similarity | 0.6991 | NPC471447 |
Remote Similarity | 0.699 | NPC53492 |
Remote Similarity | 0.6972 | NPC322598 |
Remote Similarity | 0.697 | NPC164086 |
Remote Similarity | 0.6967 | NPC257490 |
Remote Similarity | 0.6953 | NPC207428 |
Remote Similarity | 0.6949 | NPC113099 |
Remote Similarity | 0.6939 | NPC12857 |
Remote Similarity | 0.6931 | NPC197581 |
Remote Similarity | 0.6931 | NPC104070 |
Remote Similarity | 0.6929 | NPC179224 |
Remote Similarity | 0.6923 | NPC153308 |
Remote Similarity | 0.6903 | NPC143516 |
Remote Similarity | 0.69 | NPC12936 |
Remote Similarity | 0.69 | NPC100039 |
Remote Similarity | 0.69 | NPC273033 |
Remote Similarity | 0.6891 | NPC473573 |
Remote Similarity | 0.6887 | NPC133461 |
Remote Similarity | 0.688 | NPC470343 |
Remote Similarity | 0.688 | NPC472244 |
Remote Similarity | 0.6875 | NPC202613 |
Remote Similarity | 0.6864 | NPC276949 |
Remote Similarity | 0.6864 | NPC35850 |
Remote Similarity | 0.6842 | NPC474973 |
Remote Similarity | 0.6842 | NPC130898 |
Remote Similarity | 0.6842 | NPC474804 |
Remote Similarity | 0.6837 | NPC329318 |
Remote Similarity | 0.6833 | NPC239357 |
Remote Similarity | 0.6827 | NPC69057 |
Remote Similarity | 0.6822 | NPC153885 |
Remote Similarity | 0.6822 | NPC155232 |
Remote Similarity | 0.6807 | NPC33742 |
Remote Similarity | 0.6807 | NPC246904 |
Remote Similarity | 0.68 | NPC71664 |
Remote Similarity | 0.6796 | NPC252067 |
Remote Similarity | 0.6792 | NPC173413 |
Remote Similarity | 0.6792 | NPC277277 |
Remote Similarity | 0.6783 | NPC172170 |
Remote Similarity | 0.6768 | NPC137847 |
Remote Similarity | 0.6768 | NPC76455 |
Remote Similarity | 0.6767 | NPC83214 |
Remote Similarity | 0.6765 | NPC39600 |
Remote Similarity | 0.6765 | NPC273758 |
Remote Similarity | 0.6762 | NPC157778 |
Remote Similarity | 0.6759 | NPC238219 |
Remote Similarity | 0.6748 | NPC279385 |
Remote Similarity | 0.6748 | NPC179605 |
Remote Similarity | 0.6748 | NPC316582 |
Remote Similarity | 0.6735 | NPC78500 |
Remote Similarity | 0.6731 | NPC164526 |
Remote Similarity | 0.6729 | NPC284475 |
Remote Similarity | 0.6729 | NPC470926 |
Remote Similarity | 0.6727 | NPC472258 |
Remote Similarity | 0.6726 | NPC471317 |
Remote Similarity | 0.6724 | NPC473676 |
Remote Similarity | 0.6721 | NPC228515 |
Remote Similarity | 0.6719 | NPC150863 |
Remote Similarity | 0.6699 | NPC169016 |
Remote Similarity | 0.6698 | NPC418308 |
Remote Similarity | 0.6698 | NPC325709 |
Remote Similarity | 0.6697 | NPC260233 |
Remote Similarity | 0.6694 | NPC103292 |
Remote Similarity | 0.6692 | NPC122553 |
Remote Similarity | 0.6667 | NPC59677 |
Remote Similarity | 0.6667 | NPC188844 |
Remote Similarity | 0.6667 | NPC323420 |
Remote Similarity | 0.6667 | NPC280807 |
Remote Similarity | 0.6667 | NPC314431 |
Remote Similarity | 0.6667 | NPC1682 |
Remote Similarity | 0.6667 | NPC472245 |
Remote Similarity | 0.6667 | NPC158854 |
Remote Similarity | 0.6667 | NPC43945 |
Remote Similarity | 0.664 | NPC39818 |
Remote Similarity | 0.6636 | NPC185208 |
Remote Similarity | 0.6636 | NPC219573 |
Remote Similarity | 0.6636 | NPC58872 |
Remote Similarity | 0.6634 | NPC285716 |
Remote Similarity | 0.6634 | NPC17408 |
Remote Similarity | 0.6607 | NPC75496 |
Remote Similarity | 0.6606 | NPC289883 |
Remote Similarity | 0.6606 | NPC469330 |
Remote Similarity | 0.6604 | NPC267262 |
Remote Similarity | 0.6602 | NPC149263 |
Remote Similarity | 0.6598 | NPC285679 |
Remote Similarity | 0.6594 | NPC313850 |
Remote Similarity | 0.6589 | NPC165726 |
Remote Similarity | 0.6589 | NPC213969 |
Remote Similarity | 0.6587 | NPC254698 |
Remote Similarity | 0.6585 | NPC220698 |
Remote Similarity | 0.6577 | NPC239185 |
Remote Similarity | 0.6574 | NPC103346 |
Remote Similarity | 0.6569 | NPC73978 |
Remote Similarity | 0.6569 | NPC231986 |
Remote Similarity | 0.6557 | NPC285926 |
Remote Similarity | 0.6557 | NPC315276 |
Remote Similarity | 0.6557 | NPC14672 |
Remote Similarity | 0.6555 | NPC475013 |
Remote Similarity | 0.6552 | NPC473498 |
Remote Similarity | 0.6544 | NPC471164 |
Remote Similarity | 0.6541 | NPC300299 |
Remote Similarity | 0.6535 | NPC151405 |
Remote Similarity | 0.6535 | NPC139901 |
Remote Similarity | 0.6535 | NPC285394 |
Remote Similarity | 0.6522 | NPC275467 |
Remote Similarity | 0.6522 | NPC38262 |
Remote Similarity | 0.6519 | NPC469560 |
Remote Similarity | 0.6519 | NPC238412 |
Remote Similarity | 0.6518 | NPC75724 |
Remote Similarity | 0.6518 | NPC49994 |
Remote Similarity | 0.6518 | NPC134882 |
Remote Similarity | 0.6509 | NPC473031 |
Remote Similarity | 0.6508 | NPC268534 |
Remote Similarity | 0.6508 | NPC26285 |
Remote Similarity | 0.6495 | NPC74458 |
Remote Similarity | 0.6491 | NPC329375 |
Remote Similarity | 0.6491 | NPC239854 |
Remote Similarity | 0.6481 | NPC19256 |
Remote Similarity | 0.648 | NPC200964 |
Remote Similarity | 0.6471 | NPC475573 |
Remote Similarity | 0.6471 | NPC95868 |
Remote Similarity | 0.6471 | NPC315051 |
Remote Similarity | 0.6471 | NPC475289 |
Remote Similarity | 0.6458 | NPC98880 |
Remote Similarity | 0.6446 | NPC476048 |
Remote Similarity | 0.6442 | NPC324624 |
Remote Similarity | 0.6442 | NPC215008 |
Remote Similarity | 0.6439 | NPC40364 |
Remote Similarity | 0.6436 | NPC103488 |
Remote Similarity | 0.6429 | NPC265220 |
Remote Similarity | 0.6415 | NPC258046 |
Remote Similarity | 0.6412 | NPC187231 |
Remote Similarity | 0.6406 | NPC22746 |
Remote Similarity | 0.6406 | NPC222466 |
Remote Similarity | 0.6404 | NPC476993 |
Remote Similarity | 0.6404 | NPC109514 |
Remote Similarity | 0.64 | NPC139658 |
Remote Similarity | 0.6396 | NPC472880 |
Remote Similarity | 0.6392 | NPC95289 |
Remote Similarity | 0.6392 | NPC219246 |
Remote Similarity | 0.6389 | NPC470877 |
Remote Similarity | 0.6389 | NPC113307 |
Remote Similarity | 0.6385 | NPC305717 |
Remote Similarity | 0.6371 | NPC470545 |
Remote Similarity | 0.6364 | NPC314098 |
Remote Similarity | 0.6364 | NPC208075 |
Remote Similarity | 0.6364 | NPC299134 |
Remote Similarity | 0.6364 | NPC120251 |
Remote Similarity | 0.6357 | NPC101719 |
Remote Similarity | 0.6354 | NPC311343 |
Remote Similarity | 0.6349 | NPC302169 |
Remote Similarity | 0.6339 | NPC471320 |
Remote Similarity | 0.6339 | NPC471319 |
Remote Similarity | 0.6337 | NPC98269 |
Remote Similarity | 0.6337 | NPC325662 |
Remote Similarity | 0.6337 | NPC9796 |
Remote Similarity | 0.6337 | NPC298023 |
Remote Similarity | 0.633 | NPC471307 |
Remote Similarity | 0.633 | NPC159178 |
Remote Similarity | 0.633 | NPC141139 |
Molecular Weight   | 191.13 |
ALogP   | 0.7126 |
MLogP   | 2.56 |
XLogP   | 3.767 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 20.31 |
RO5 Violation   | 0 |