Drug ID:   | NPD3943 |
Drug Name:   | |
Molecular Formula:   | C20H22N2 |
Canonical SMILES:   | CN1CCc2ccccc2Cc2c(CC1)c1ccccc1[nH]2 |
Standard InCHI:   | InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3 |
Standard InCHIKey:   | YEWGIGCYIAMFMA-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 | 0.9118 | NPC218268 |
High Similarity | 0.9104 | NPC475450 |
High Similarity | 0.9044 | NPC198988 |
High Similarity | 0.903 | NPC22079 |
High Similarity | 0.9015 | NPC250361 |
High Similarity | 0.8993 | NPC59084 |
High Similarity | 0.8993 | NPC2949 |
High Similarity | 0.8955 | NPC473587 |
High Similarity | 0.8929 | NPC473868 |
High Similarity | 0.8929 | NPC63157 |
High Similarity | 0.8889 | NPC475428 |
High Similarity | 0.8889 | NPC33421 |
High Similarity | 0.8881 | NPC473762 |
High Similarity | 0.8841 | NPC325252 |
High Similarity | 0.8824 | NPC179365 |
High Similarity | 0.8786 | NPC73767 |
High Similarity | 0.8786 | NPC88097 |
High Similarity | 0.8759 | NPC473930 |
High Similarity | 0.8723 | NPC469779 |
High Similarity | 0.8723 | NPC469768 |
High Similarity | 0.8723 | NPC469761 |
High Similarity | 0.8723 | NPC469780 |
High Similarity | 0.8723 | NPC469783 |
High Similarity | 0.8723 | NPC469767 |
High Similarity | 0.8723 | NPC469784 |
High Similarity | 0.8712 | NPC41174 |
High Similarity | 0.8662 | NPC469766 |
High Similarity | 0.8652 | NPC312092 |
High Similarity | 0.8652 | NPC110126 |
High Similarity | 0.8643 | NPC84911 |
High Similarity | 0.863 | NPC53947 |
High Similarity | 0.8621 | NPC21605 |
High Similarity | 0.8592 | NPC115611 |
High Similarity | 0.8571 | NPC96102 |
High Similarity | 0.8571 | NPC261195 |
High Similarity | 0.8571 | NPC29886 |
High Similarity | 0.8552 | NPC288838 |
High Similarity | 0.8533 | NPC206819 |
High Similarity | 0.8533 | NPC56765 |
High Similarity | 0.8533 | NPC318065 |
High Similarity | 0.8511 | NPC105127 |
Intermediate Similarity | 0.8493 | NPC477134 |
Intermediate Similarity | 0.8483 | NPC470440 |
Intermediate Similarity | 0.8467 | NPC286427 |
Intermediate Similarity | 0.8411 | NPC475990 |
Intermediate Similarity | 0.8411 | NPC474880 |
Intermediate Similarity | 0.8411 | NPC41257 |
Intermediate Similarity | 0.8411 | NPC221786 |
Intermediate Similarity | 0.838 | NPC125746 |
Intermediate Similarity | 0.8367 | NPC201380 |
Intermediate Similarity | 0.8367 | NPC179787 |
Intermediate Similarity | 0.8356 | NPC314372 |
Intermediate Similarity | 0.8356 | NPC204141 |
Intermediate Similarity | 0.8355 | NPC44773 |
Intermediate Similarity | 0.8355 | NPC229173 |
Intermediate Similarity | 0.8355 | NPC215584 |
Intermediate Similarity | 0.8345 | NPC190296 |
Intermediate Similarity | 0.8333 | NPC279081 |
Intermediate Similarity | 0.8322 | NPC470233 |
Intermediate Similarity | 0.8311 | NPC321911 |
Intermediate Similarity | 0.8311 | NPC2272 |
Intermediate Similarity | 0.8311 | NPC37548 |
Intermediate Similarity | 0.8299 | NPC63545 |
Intermediate Similarity | 0.8288 | NPC242556 |
Intermediate Similarity | 0.8286 | NPC82295 |
Intermediate Similarity | 0.8267 | NPC325903 |
Intermediate Similarity | 0.8255 | NPC105818 |
Intermediate Similarity | 0.8255 | NPC24678 |
Intermediate Similarity | 0.8247 | NPC90723 |
Intermediate Similarity | 0.8243 | NPC469811 |
Intermediate Similarity | 0.8224 | NPC216643 |
Intermediate Similarity | 0.8207 | NPC284635 |
Intermediate Similarity | 0.8207 | NPC230002 |
Intermediate Similarity | 0.8176 | NPC143872 |
Intermediate Similarity | 0.817 | NPC135141 |
Intermediate Similarity | 0.817 | NPC92796 |
Intermediate Similarity | 0.8153 | NPC194411 |
Intermediate Similarity | 0.8146 | NPC25008 |
Intermediate Similarity | 0.8146 | NPC200214 |
Intermediate Similarity | 0.8146 | NPC469760 |
Intermediate Similarity | 0.8146 | NPC469765 |
Intermediate Similarity | 0.8146 | NPC469786 |
Intermediate Similarity | 0.8146 | NPC469763 |
Intermediate Similarity | 0.8146 | NPC259644 |
Intermediate Similarity | 0.8146 | NPC73952 |
Intermediate Similarity | 0.8138 | NPC104483 |
Intermediate Similarity | 0.8125 | NPC150259 |
Intermediate Similarity | 0.8125 | NPC314102 |
Intermediate Similarity | 0.8125 | NPC251722 |
Intermediate Similarity | 0.8121 | NPC471957 |
Intermediate Similarity | 0.8108 | NPC159856 |
Intermediate Similarity | 0.8092 | NPC75540 |
Intermediate Similarity | 0.8092 | NPC211572 |
Intermediate Similarity | 0.8092 | NPC470507 |
Intermediate Similarity | 0.8092 | NPC476297 |
Intermediate Similarity | 0.8092 | NPC70922 |
Intermediate Similarity | 0.8092 | NPC476219 |
Intermediate Similarity | 0.8092 | NPC38736 |
Intermediate Similarity | 0.8092 | NPC80597 |
Intermediate Similarity | 0.8092 | NPC212376 |
Intermediate Similarity | 0.8067 | NPC187951 |
Intermediate Similarity | 0.8067 | NPC124005 |
Intermediate Similarity | 0.806 | NPC81561 |
Intermediate Similarity | 0.8039 | NPC285469 |
Intermediate Similarity | 0.8039 | NPC184476 |
Intermediate Similarity | 0.8038 | NPC474897 |
Intermediate Similarity | 0.8013 | NPC148592 |
Intermediate Similarity | 0.8013 | NPC271797 |
Intermediate Similarity | 0.8013 | NPC21174 |
Intermediate Similarity | 0.8 | NPC275305 |
Intermediate Similarity | 0.8 | NPC54102 |
Intermediate Similarity | 0.8 | NPC162689 |
Intermediate Similarity | 0.8 | NPC37423 |
Intermediate Similarity | 0.7987 | NPC236711 |
Intermediate Similarity | 0.7985 | NPC148140 |
Intermediate Similarity | 0.7974 | NPC34844 |
Intermediate Similarity | 0.7973 | NPC20144 |
Intermediate Similarity | 0.7961 | NPC470823 |
Intermediate Similarity | 0.7949 | NPC470203 |
Intermediate Similarity | 0.7922 | NPC469785 |
Intermediate Similarity | 0.7914 | NPC122718 |
Intermediate Similarity | 0.7908 | NPC141926 |
Intermediate Similarity | 0.7901 | NPC68354 |
Intermediate Similarity | 0.7898 | NPC162799 |
Intermediate Similarity | 0.7898 | NPC317105 |
Intermediate Similarity | 0.7885 | NPC470204 |
Intermediate Similarity | 0.7871 | NPC469762 |
Intermediate Similarity | 0.7862 | NPC201700 |
Intermediate Similarity | 0.7862 | NPC63751 |
Intermediate Similarity | 0.7857 | NPC471458 |
Intermediate Similarity | 0.7853 | NPC215795 |
Intermediate Similarity | 0.7853 | NPC176199 |
Intermediate Similarity | 0.7843 | NPC216713 |
Intermediate Similarity | 0.784 | NPC280852 |
Intermediate Similarity | 0.7834 | NPC16667 |
Intermediate Similarity | 0.7815 | NPC129042 |
Intermediate Similarity | 0.7812 | NPC280548 |
Intermediate Similarity | 0.7806 | NPC51054 |
Intermediate Similarity | 0.7799 | NPC474561 |
Intermediate Similarity | 0.7799 | NPC49954 |
Intermediate Similarity | 0.7785 | NPC311276 |
Intermediate Similarity | 0.7785 | NPC472587 |
Intermediate Similarity | 0.7778 | NPC189812 |
Intermediate Similarity | 0.7778 | NPC40070 |
Intermediate Similarity | 0.7778 | NPC329688 |
Intermediate Similarity | 0.7771 | NPC122141 |
Intermediate Similarity | 0.7764 | NPC82331 |
Intermediate Similarity | 0.7756 | NPC299594 |
Intermediate Similarity | 0.7754 | NPC215519 |
Intermediate Similarity | 0.775 | NPC317430 |
Intermediate Similarity | 0.7742 | NPC207726 |
Intermediate Similarity | 0.7722 | NPC282231 |
Intermediate Similarity | 0.7716 | NPC472123 |
Intermediate Similarity | 0.7716 | NPC477611 |
Intermediate Similarity | 0.7716 | NPC161861 |
Intermediate Similarity | 0.7711 | NPC19679 |
Intermediate Similarity | 0.7711 | NPC470205 |
Intermediate Similarity | 0.7707 | NPC6436 |
Intermediate Similarity | 0.7703 | NPC169433 |
Intermediate Similarity | 0.7697 | NPC314919 |
Intermediate Similarity | 0.7692 | NPC141353 |
Intermediate Similarity | 0.7688 | NPC109447 |
Intermediate Similarity | 0.7688 | NPC160105 |
Intermediate Similarity | 0.7677 | NPC232798 |
Intermediate Similarity | 0.7673 | NPC40779 |
Intermediate Similarity | 0.7673 | NPC247987 |
Intermediate Similarity | 0.7658 | NPC473320 |
Intermediate Similarity | 0.7658 | NPC279918 |
Intermediate Similarity | 0.7647 | NPC470111 |
Intermediate Similarity | 0.7625 | NPC274229 |
Intermediate Similarity | 0.7622 | NPC474958 |
Intermediate Similarity | 0.7595 | NPC67056 |
Intermediate Similarity | 0.7595 | NPC474791 |
Intermediate Similarity | 0.7591 | NPC476566 |
Intermediate Similarity | 0.7589 | NPC46358 |
Intermediate Similarity | 0.7586 | NPC282398 |
Intermediate Similarity | 0.7582 | NPC316069 |
Intermediate Similarity | 0.7578 | NPC49217 |
Intermediate Similarity | 0.7576 | NPC59269 |
Intermediate Similarity | 0.7576 | NPC151939 |
Intermediate Similarity | 0.7562 | NPC8104 |
Intermediate Similarity | 0.7562 | NPC271734 |
Intermediate Similarity | 0.7562 | NPC149265 |
Intermediate Similarity | 0.7562 | NPC194640 |
Intermediate Similarity | 0.756 | NPC472294 |
Intermediate Similarity | 0.7547 | NPC131718 |
Intermediate Similarity | 0.7546 | NPC6982 |
Intermediate Similarity | 0.7532 | NPC76982 |
Intermediate Similarity | 0.7531 | NPC154293 |
Intermediate Similarity | 0.753 | NPC213468 |
Intermediate Similarity | 0.7516 | NPC280864 |
Intermediate Similarity | 0.7516 | NPC17751 |
Intermediate Similarity | 0.7515 | NPC133003 |
Intermediate Similarity | 0.75 | NPC34508 |
Intermediate Similarity | 0.75 | NPC314603 |
Intermediate Similarity | 0.7485 | NPC97343 |
Intermediate Similarity | 0.7485 | NPC91179 |
Intermediate Similarity | 0.7485 | NPC300688 |
Intermediate Similarity | 0.7484 | NPC230869 |
Intermediate Similarity | 0.7483 | NPC238499 |
Molecular Weight   | 290.18 |
ALogP   | 0.5507 |
MLogP   | 3.44 |
XLogP   | 5.738 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 19.03 |
RO5 Violation   | 1 |