Drug ID:   | NPD506 |
Drug Name:   | |
Molecular Formula:   | C11H13F3OSi |
Canonical SMILES:   | O=C(C(F)(F)F)c1cccc(c1)[Si](C)(C)C |
Standard InCHI:   | InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3 |
Standard InCHIKey:   | GAPOASFZXBWUGS-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 |
---|---|---|
High Similarity | 0.8889 | NPC36342 |
High Similarity | 0.8889 | NPC2785 |
High Similarity | 0.8889 | NPC285470 |
High Similarity | 0.878 | NPC300205 |
High Similarity | 0.8765 | NPC245966 |
High Similarity | 0.8675 | NPC190567 |
High Similarity | 0.8675 | NPC164086 |
High Similarity | 0.8571 | NPC145053 |
Intermediate Similarity | 0.8452 | NPC71664 |
Intermediate Similarity | 0.8353 | NPC12936 |
Intermediate Similarity | 0.8353 | NPC273033 |
Intermediate Similarity | 0.8272 | NPC285679 |
Intermediate Similarity | 0.8161 | NPC273758 |
Intermediate Similarity | 0.8148 | NPC74458 |
Intermediate Similarity | 0.814 | NPC73978 |
Intermediate Similarity | 0.809 | NPC307 |
Intermediate Similarity | 0.809 | NPC160339 |
Intermediate Similarity | 0.8 | NPC69057 |
Intermediate Similarity | 0.8 | NPC43945 |
Intermediate Similarity | 0.7955 | NPC39600 |
Intermediate Similarity | 0.7955 | NPC324624 |
Intermediate Similarity | 0.7955 | NPC197581 |
Intermediate Similarity | 0.7955 | NPC215008 |
Intermediate Similarity | 0.7931 | NPC100039 |
Intermediate Similarity | 0.7912 | NPC157778 |
Intermediate Similarity | 0.7907 | NPC151405 |
Intermediate Similarity | 0.7907 | NPC139901 |
Intermediate Similarity | 0.7901 | NPC98880 |
Intermediate Similarity | 0.7816 | NPC285716 |
Intermediate Similarity | 0.7816 | NPC95868 |
Intermediate Similarity | 0.7816 | NPC17408 |
Intermediate Similarity | 0.7805 | NPC95289 |
Intermediate Similarity | 0.7791 | NPC137847 |
Intermediate Similarity | 0.7791 | NPC76455 |
Intermediate Similarity | 0.7778 | NPC252067 |
Intermediate Similarity | 0.7778 | NPC311343 |
Intermediate Similarity | 0.7765 | NPC78500 |
Intermediate Similarity | 0.7742 | NPC277277 |
Intermediate Similarity | 0.7742 | NPC173413 |
Intermediate Similarity | 0.7717 | NPC267262 |
Intermediate Similarity | 0.7717 | NPC473345 |
Intermediate Similarity | 0.7674 | NPC329318 |
Intermediate Similarity | 0.766 | NPC133461 |
Intermediate Similarity | 0.766 | NPC284475 |
Intermediate Similarity | 0.7634 | NPC418308 |
Intermediate Similarity | 0.7634 | NPC113307 |
Intermediate Similarity | 0.7586 | NPC103488 |
Intermediate Similarity | 0.7579 | NPC59677 |
Intermediate Similarity | 0.7579 | NPC153885 |
Intermediate Similarity | 0.7579 | NPC1682 |
Intermediate Similarity | 0.7579 | NPC155232 |
Intermediate Similarity | 0.7579 | NPC188844 |
Intermediate Similarity | 0.7556 | NPC149263 |
Intermediate Similarity | 0.7553 | NPC19256 |
Intermediate Similarity | 0.7529 | NPC208075 |
Intermediate Similarity | 0.7527 | NPC153308 |
Intermediate Similarity | 0.75 | NPC238219 |
Intermediate Similarity | 0.75 | NPC289883 |
Intermediate Similarity | 0.75 | NPC246757 |
Intermediate Similarity | 0.75 | NPC291070 |
Intermediate Similarity | 0.7471 | NPC9796 |
Intermediate Similarity | 0.7423 | NPC260233 |
Intermediate Similarity | 0.7412 | NPC271437 |
Intermediate Similarity | 0.7396 | NPC323420 |
Intermediate Similarity | 0.7368 | NPC58872 |
Intermediate Similarity | 0.7347 | NPC219573 |
Intermediate Similarity | 0.7347 | NPC185208 |
Intermediate Similarity | 0.7312 | NPC164526 |
Intermediate Similarity | 0.7303 | NPC272260 |
Intermediate Similarity | 0.7294 | NPC326200 |
Intermediate Similarity | 0.7292 | NPC110704 |
Intermediate Similarity | 0.7273 | NPC239185 |
Intermediate Similarity | 0.7273 | NPC298023 |
Intermediate Similarity | 0.7273 | NPC179726 |
Intermediate Similarity | 0.7273 | NPC240042 |
Intermediate Similarity | 0.7263 | NPC325709 |
Intermediate Similarity | 0.7245 | NPC472880 |
Intermediate Similarity | 0.7222 | NPC477703 |
Intermediate Similarity | 0.7204 | NPC123476 |
Intermediate Similarity | 0.72 | NPC134882 |
Intermediate Similarity | 0.72 | NPC49994 |
Intermediate Similarity | 0.72 | NPC75724 |
Intermediate Similarity | 0.7188 | NPC303967 |
Intermediate Similarity | 0.7188 | NPC110420 |
Intermediate Similarity | 0.7188 | NPC67585 |
Intermediate Similarity | 0.7113 | NPC476484 |
Intermediate Similarity | 0.7113 | NPC103346 |
Intermediate Similarity | 0.71 | NPC265220 |
Intermediate Similarity | 0.7059 | NPC112552 |
Intermediate Similarity | 0.7059 | NPC109514 |
Intermediate Similarity | 0.7059 | NPC235059 |
Intermediate Similarity | 0.7059 | NPC476993 |
Intermediate Similarity | 0.7059 | NPC16190 |
Intermediate Similarity | 0.7059 | NPC169222 |
Intermediate Similarity | 0.7033 | NPC157055 |
Intermediate Similarity | 0.7021 | NPC95965 |
Intermediate Similarity | 0.7 | NPC12695 |
Remote Similarity | 0.699 | NPC25458 |
Remote Similarity | 0.699 | NPC244427 |
Remote Similarity | 0.699 | NPC222390 |
Remote Similarity | 0.6989 | NPC288903 |
Remote Similarity | 0.6979 | NPC477693 |
Remote Similarity | 0.6979 | NPC477704 |
Remote Similarity | 0.6947 | NPC318107 |
Remote Similarity | 0.6931 | NPC156021 |
Remote Similarity | 0.6923 | NPC329556 |
Remote Similarity | 0.6923 | NPC471829 |
Remote Similarity | 0.6923 | NPC472691 |
Remote Similarity | 0.6923 | NPC475939 |
Remote Similarity | 0.6923 | NPC474866 |
Remote Similarity | 0.6923 | NPC274443 |
Remote Similarity | 0.6923 | NPC247976 |
Remote Similarity | 0.69 | NPC130398 |
Remote Similarity | 0.6893 | NPC472879 |
Remote Similarity | 0.6882 | NPC230068 |
Remote Similarity | 0.6875 | NPC194326 |
Remote Similarity | 0.6869 | NPC77273 |
Remote Similarity | 0.6863 | NPC229242 |
Remote Similarity | 0.6857 | NPC329282 |
Remote Similarity | 0.6848 | NPC127343 |
Remote Similarity | 0.6842 | NPC294134 |
Remote Similarity | 0.6809 | NPC285773 |
Remote Similarity | 0.68 | NPC261181 |
Remote Similarity | 0.68 | NPC34243 |
Remote Similarity | 0.6796 | NPC325497 |
Remote Similarity | 0.6796 | NPC217621 |
Remote Similarity | 0.6792 | NPC167336 |
Remote Similarity | 0.6792 | NPC172483 |
Remote Similarity | 0.6792 | NPC474910 |
Remote Similarity | 0.6765 | NPC249912 |
Remote Similarity | 0.6765 | NPC92754 |
Remote Similarity | 0.6765 | NPC276775 |
Remote Similarity | 0.6765 | NPC103048 |
Remote Similarity | 0.6765 | NPC253423 |
Remote Similarity | 0.6762 | NPC301943 |
Remote Similarity | 0.6762 | NPC474365 |
Remote Similarity | 0.6735 | NPC298115 |
Remote Similarity | 0.6735 | NPC231591 |
Remote Similarity | 0.6729 | NPC472700 |
Remote Similarity | 0.6729 | NPC6984 |
Remote Similarity | 0.6729 | NPC100767 |
Remote Similarity | 0.6729 | NPC472699 |
Remote Similarity | 0.6703 | NPC287790 |
Remote Similarity | 0.6703 | NPC3672 |
Remote Similarity | 0.6701 | NPC322387 |
Remote Similarity | 0.6699 | NPC225060 |
Remote Similarity | 0.6699 | NPC35448 |
Remote Similarity | 0.6699 | NPC145052 |
Remote Similarity | 0.6699 | NPC78701 |
Remote Similarity | 0.6698 | NPC249067 |
Remote Similarity | 0.6667 | NPC226699 |
Remote Similarity | 0.6667 | NPC212114 |
Remote Similarity | 0.6667 | NPC172170 |
Remote Similarity | 0.6667 | NPC320891 |
Remote Similarity | 0.6667 | NPC304873 |
Remote Similarity | 0.6667 | NPC203732 |
Remote Similarity | 0.6667 | NPC34715 |
Remote Similarity | 0.6667 | NPC472701 |
Remote Similarity | 0.6667 | NPC472695 |
Remote Similarity | 0.6667 | NPC65873 |
Remote Similarity | 0.6667 | NPC472696 |
Remote Similarity | 0.6667 | NPC470391 |
Remote Similarity | 0.6667 | NPC62765 |
Remote Similarity | 0.6667 | NPC120441 |
Remote Similarity | 0.6667 | NPC300345 |
Remote Similarity | 0.6667 | NPC206800 |
Remote Similarity | 0.6667 | NPC472683 |
Remote Similarity | 0.6667 | NPC32203 |
Remote Similarity | 0.6636 | NPC209632 |
Remote Similarity | 0.6636 | NPC134120 |
Remote Similarity | 0.6635 | NPC146351 |
Remote Similarity | 0.6635 | NPC203925 |
Remote Similarity | 0.6633 | NPC329064 |
Remote Similarity | 0.6632 | NPC44830 |
Remote Similarity | 0.663 | NPC50192 |
Remote Similarity | 0.6606 | NPC470252 |
Remote Similarity | 0.6606 | NPC224584 |
Remote Similarity | 0.6606 | NPC192577 |
Remote Similarity | 0.6602 | NPC289201 |
Remote Similarity | 0.6596 | NPC89950 |
Remote Similarity | 0.6574 | NPC30594 |
Remote Similarity | 0.6574 | NPC37622 |
Remote Similarity | 0.6571 | NPC473325 |
Remote Similarity | 0.6571 | NPC70624 |
Remote Similarity | 0.6571 | NPC42211 |
Remote Similarity | 0.6559 | NPC167577 |
Remote Similarity | 0.6559 | NPC78517 |
Remote Similarity | 0.6545 | NPC95172 |
Remote Similarity | 0.6543 | NPC198841 |
Remote Similarity | 0.6543 | NPC269586 |
Remote Similarity | 0.6542 | NPC114594 |
Remote Similarity | 0.6542 | NPC31786 |
Remote Similarity | 0.6538 | NPC329387 |
Remote Similarity | 0.6538 | NPC317280 |
Remote Similarity | 0.6517 | NPC155429 |
Remote Similarity | 0.6514 | NPC211439 |
Remote Similarity | 0.6514 | NPC141523 |
Remote Similarity | 0.6509 | NPC188895 |
Remote Similarity | 0.6509 | NPC284477 |
Remote Similarity | 0.6505 | NPC61944 |
Molecular Weight   | 246.07 |
ALogP   | 3.596 |
MLogP   | 2.12 |
XLogP   | 4.165 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 9 |
TPSA   | 17.07 |
RO5 Violation   | 0 |