Drug ID:   | NPD1507 |
Drug Name:   | |
Molecular Formula:   | C15H10O |
Canonical SMILES:   | O=C1C(=C1c1ccccc1)c1ccccc1 |
Standard InCHI:   | InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H |
Standard InCHIKey:   | HCIBTBXNLVOFER-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 | 1.0 | NPC95868 |
High Similarity | 0.9351 | NPC273033 |
High Similarity | 0.9351 | NPC12936 |
High Similarity | 0.9221 | NPC71664 |
High Similarity | 0.9114 | NPC273758 |
High Similarity | 0.9091 | NPC151405 |
High Similarity | 0.9091 | NPC139901 |
High Similarity | 0.9079 | NPC9796 |
High Similarity | 0.8846 | NPC272260 |
High Similarity | 0.8831 | NPC245966 |
High Similarity | 0.88 | NPC285679 |
High Similarity | 0.8734 | NPC190567 |
High Similarity | 0.8718 | NPC2785 |
High Similarity | 0.8718 | NPC36342 |
High Similarity | 0.8718 | NPC285470 |
High Similarity | 0.8675 | NPC69057 |
High Similarity | 0.8667 | NPC74458 |
High Similarity | 0.8625 | NPC145053 |
High Similarity | 0.8608 | NPC300205 |
High Similarity | 0.8571 | NPC267262 |
High Similarity | 0.85 | NPC17408 |
High Similarity | 0.85 | NPC477703 |
High Similarity | 0.85 | NPC285716 |
High Similarity | 0.85 | NPC164086 |
Intermediate Similarity | 0.8471 | NPC418308 |
Intermediate Similarity | 0.8471 | NPC113307 |
Intermediate Similarity | 0.8434 | NPC123476 |
Intermediate Similarity | 0.8372 | NPC277277 |
Intermediate Similarity | 0.8372 | NPC19256 |
Intermediate Similarity | 0.8354 | NPC179726 |
Intermediate Similarity | 0.825 | NPC103488 |
Intermediate Similarity | 0.8205 | NPC208075 |
Intermediate Similarity | 0.8193 | NPC215008 |
Intermediate Similarity | 0.8171 | NPC73978 |
Intermediate Similarity | 0.8158 | NPC98880 |
Intermediate Similarity | 0.814 | NPC157778 |
Intermediate Similarity | 0.8118 | NPC160339 |
Intermediate Similarity | 0.8118 | NPC307 |
Intermediate Similarity | 0.809 | NPC289883 |
Intermediate Similarity | 0.8077 | NPC271437 |
Intermediate Similarity | 0.8052 | NPC95289 |
Intermediate Similarity | 0.8046 | NPC325709 |
Intermediate Similarity | 0.8026 | NPC311343 |
Intermediate Similarity | 0.8025 | NPC76455 |
Intermediate Similarity | 0.8025 | NPC137847 |
Intermediate Similarity | 0.8023 | NPC43945 |
Intermediate Similarity | 0.8 | NPC472880 |
Intermediate Similarity | 0.7978 | NPC59677 |
Intermediate Similarity | 0.7976 | NPC197581 |
Intermediate Similarity | 0.7976 | NPC324624 |
Intermediate Similarity | 0.7955 | NPC173413 |
Intermediate Similarity | 0.7901 | NPC298023 |
Intermediate Similarity | 0.7901 | NPC329318 |
Intermediate Similarity | 0.7889 | NPC34243 |
Intermediate Similarity | 0.7865 | NPC133461 |
Intermediate Similarity | 0.7865 | NPC284475 |
Intermediate Similarity | 0.7865 | NPC103346 |
Intermediate Similarity | 0.7841 | NPC231591 |
Intermediate Similarity | 0.7791 | NPC252067 |
Intermediate Similarity | 0.7778 | NPC155232 |
Intermediate Similarity | 0.7778 | NPC323420 |
Intermediate Similarity | 0.7778 | NPC188844 |
Intermediate Similarity | 0.7778 | NPC153885 |
Intermediate Similarity | 0.7778 | NPC78500 |
Intermediate Similarity | 0.7778 | NPC1682 |
Intermediate Similarity | 0.7765 | NPC39600 |
Intermediate Similarity | 0.7753 | NPC67585 |
Intermediate Similarity | 0.7753 | NPC110420 |
Intermediate Similarity | 0.7753 | NPC303967 |
Intermediate Similarity | 0.7742 | NPC49994 |
Intermediate Similarity | 0.7738 | NPC100039 |
Intermediate Similarity | 0.7727 | NPC477693 |
Intermediate Similarity | 0.7727 | NPC477704 |
Intermediate Similarity | 0.7717 | NPC12695 |
Intermediate Similarity | 0.7717 | NPC219573 |
Intermediate Similarity | 0.7717 | NPC185208 |
Intermediate Similarity | 0.7703 | NPC246588 |
Intermediate Similarity | 0.7692 | NPC238219 |
Intermediate Similarity | 0.7667 | NPC141607 |
Intermediate Similarity | 0.7667 | NPC187725 |
Intermediate Similarity | 0.764 | NPC298115 |
Intermediate Similarity | 0.7634 | NPC103048 |
Intermediate Similarity | 0.7634 | NPC239185 |
Intermediate Similarity | 0.7619 | NPC157055 |
Intermediate Similarity | 0.7609 | NPC260233 |
Intermediate Similarity | 0.7586 | NPC95965 |
Intermediate Similarity | 0.7579 | NPC472879 |
Intermediate Similarity | 0.7553 | NPC134882 |
Intermediate Similarity | 0.7528 | NPC153308 |
Intermediate Similarity | 0.7528 | NPC473345 |
Intermediate Similarity | 0.75 | NPC113670 |
Intermediate Similarity | 0.75 | NPC164526 |
Intermediate Similarity | 0.75 | NPC326200 |
Intermediate Similarity | 0.7473 | NPC476484 |
Intermediate Similarity | 0.7468 | NPC169222 |
Intermediate Similarity | 0.7468 | NPC235059 |
Intermediate Similarity | 0.7468 | NPC16190 |
Intermediate Similarity | 0.7447 | NPC265220 |
Intermediate Similarity | 0.7447 | NPC289201 |
Intermediate Similarity | 0.7444 | NPC9822 |
Intermediate Similarity | 0.7442 | NPC230068 |
Intermediate Similarity | 0.7432 | NPC36357 |
Intermediate Similarity | 0.7432 | NPC114327 |
Intermediate Similarity | 0.7423 | NPC329556 |
Intermediate Similarity | 0.7419 | NPC206764 |
Intermediate Similarity | 0.7416 | NPC194326 |
Intermediate Similarity | 0.7412 | NPC127343 |
Intermediate Similarity | 0.7396 | NPC476993 |
Intermediate Similarity | 0.7396 | NPC109514 |
Intermediate Similarity | 0.7391 | NPC77273 |
Intermediate Similarity | 0.7368 | NPC75724 |
Intermediate Similarity | 0.7368 | NPC22786 |
Intermediate Similarity | 0.7363 | NPC58872 |
Intermediate Similarity | 0.7356 | NPC285773 |
Intermediate Similarity | 0.7356 | NPC44830 |
Intermediate Similarity | 0.7356 | NPC149263 |
Intermediate Similarity | 0.7356 | NPC288903 |
Intermediate Similarity | 0.7347 | NPC249067 |
Intermediate Similarity | 0.7312 | NPC246757 |
Intermediate Similarity | 0.7312 | NPC261181 |
Intermediate Similarity | 0.7312 | NPC291070 |
Intermediate Similarity | 0.7292 | NPC476042 |
Intermediate Similarity | 0.7283 | NPC110704 |
Intermediate Similarity | 0.7273 | NPC134120 |
Intermediate Similarity | 0.7273 | NPC167336 |
Intermediate Similarity | 0.7263 | NPC270654 |
Intermediate Similarity | 0.7263 | NPC240042 |
Intermediate Similarity | 0.7245 | NPC472691 |
Intermediate Similarity | 0.7245 | NPC471829 |
Intermediate Similarity | 0.7245 | NPC475939 |
Intermediate Similarity | 0.7245 | NPC474866 |
Intermediate Similarity | 0.7234 | NPC172925 |
Intermediate Similarity | 0.7222 | NPC322387 |
Intermediate Similarity | 0.7215 | NPC267443 |
Intermediate Similarity | 0.7191 | NPC294134 |
Intermediate Similarity | 0.7188 | NPC317280 |
Intermediate Similarity | 0.7188 | NPC145052 |
Intermediate Similarity | 0.7188 | NPC329387 |
Intermediate Similarity | 0.7179 | NPC291066 |
Intermediate Similarity | 0.7162 | NPC198841 |
Intermediate Similarity | 0.7143 | NPC200745 |
Intermediate Similarity | 0.7143 | NPC71009 |
Intermediate Similarity | 0.7143 | NPC329064 |
Intermediate Similarity | 0.7129 | NPC203732 |
Intermediate Similarity | 0.7113 | NPC54647 |
Intermediate Similarity | 0.7097 | NPC125226 |
Intermediate Similarity | 0.7083 | NPC156021 |
Intermediate Similarity | 0.7073 | NPC155429 |
Intermediate Similarity | 0.7071 | NPC247976 |
Intermediate Similarity | 0.7071 | NPC274443 |
Intermediate Similarity | 0.7071 | NPC255676 |
Intermediate Similarity | 0.7067 | NPC212114 |
Intermediate Similarity | 0.7067 | NPC120441 |
Intermediate Similarity | 0.7067 | NPC65873 |
Intermediate Similarity | 0.7067 | NPC300345 |
Intermediate Similarity | 0.7041 | NPC42211 |
Intermediate Similarity | 0.7041 | NPC112552 |
Intermediate Similarity | 0.7037 | NPC246822 |
Intermediate Similarity | 0.7037 | NPC139416 |
Intermediate Similarity | 0.7037 | NPC213570 |
Intermediate Similarity | 0.7037 | NPC473206 |
Intermediate Similarity | 0.703 | NPC472700 |
Intermediate Similarity | 0.703 | NPC472699 |
Intermediate Similarity | 0.7027 | NPC149436 |
Intermediate Similarity | 0.7024 | NPC206800 |
Intermediate Similarity | 0.7024 | NPC32203 |
Intermediate Similarity | 0.7013 | NPC248705 |
Intermediate Similarity | 0.7013 | NPC150196 |
Intermediate Similarity | 0.7013 | NPC54368 |
Intermediate Similarity | 0.7013 | NPC135924 |
Intermediate Similarity | 0.7013 | NPC210849 |
Intermediate Similarity | 0.7011 | NPC184030 |
Intermediate Similarity | 0.7011 | NPC164449 |
Intermediate Similarity | 0.7 | NPC329282 |
Intermediate Similarity | 0.7 | NPC475710 |
Intermediate Similarity | 0.7 | NPC269644 |
Remote Similarity | 0.6989 | NPC86670 |
Remote Similarity | 0.6989 | NPC84288 |
Remote Similarity | 0.6989 | NPC70940 |
Remote Similarity | 0.6989 | NPC274455 |
Remote Similarity | 0.697 | NPC25458 |
Remote Similarity | 0.697 | NPC244427 |
Remote Similarity | 0.697 | NPC222390 |
Remote Similarity | 0.6966 | NPC243289 |
Remote Similarity | 0.6966 | NPC208183 |
Remote Similarity | 0.6961 | NPC472701 |
Remote Similarity | 0.6961 | NPC472695 |
Remote Similarity | 0.6961 | NPC470007 |
Remote Similarity | 0.6961 | NPC141523 |
Remote Similarity | 0.6961 | NPC472696 |
Remote Similarity | 0.6961 | NPC472683 |
Remote Similarity | 0.6951 | NPC263385 |
Remote Similarity | 0.6951 | NPC72670 |
Remote Similarity | 0.6951 | NPC251490 |
Remote Similarity | 0.6939 | NPC118343 |
Remote Similarity | 0.6933 | NPC269586 |
Remote Similarity | 0.6932 | NPC71795 |
Remote Similarity | 0.6931 | NPC474910 |
Remote Similarity | 0.6931 | NPC172483 |
Remote Similarity | 0.6931 | NPC105899 |
Molecular Weight   | 206.07 |
ALogP   | -0.1872 |
MLogP   | 3 |
XLogP   | 6.584 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 17.07 |
RO5 Violation   | 1 |