Drug ID:   | NPD2172 |
Drug Name:   | RG-7166 |
Molecular Formula:   | C16H22N2 |
Canonical SMILES:   | CCCCC1(CNCC1)c1ccc2c(c1)cc[nH]2 |
Standard InCHI:   | InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3 |
Standard InCHIKey:   | FIIZGBLPZZYXCS-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 | 0.9291 | NPC469783 |
High Similarity | 0.9291 | NPC469761 |
High Similarity | 0.9291 | NPC469779 |
High Similarity | 0.9291 | NPC469767 |
High Similarity | 0.9291 | NPC469780 |
High Similarity | 0.9291 | NPC469768 |
High Similarity | 0.9291 | NPC469784 |
High Similarity | 0.9225 | NPC469766 |
High Similarity | 0.922 | NPC73767 |
High Similarity | 0.9214 | NPC84911 |
High Similarity | 0.9178 | NPC53947 |
High Similarity | 0.9143 | NPC96102 |
High Similarity | 0.9143 | NPC261195 |
High Similarity | 0.9143 | NPC29886 |
High Similarity | 0.9103 | NPC288838 |
High Similarity | 0.9085 | NPC110126 |
High Similarity | 0.9078 | NPC105127 |
High Similarity | 0.8904 | NPC314372 |
High Similarity | 0.8897 | NPC190296 |
High Similarity | 0.8889 | NPC279081 |
High Similarity | 0.8874 | NPC286427 |
High Similarity | 0.8857 | NPC82295 |
High Similarity | 0.8816 | NPC41257 |
High Similarity | 0.8792 | NPC24678 |
High Similarity | 0.8792 | NPC105818 |
High Similarity | 0.8766 | NPC90723 |
High Similarity | 0.8759 | NPC230002 |
High Similarity | 0.875 | NPC216643 |
High Similarity | 0.8693 | NPC318065 |
High Similarity | 0.8693 | NPC92796 |
High Similarity | 0.8693 | NPC135141 |
High Similarity | 0.8693 | NPC56765 |
High Similarity | 0.8693 | NPC206819 |
High Similarity | 0.8675 | NPC469765 |
High Similarity | 0.8675 | NPC469760 |
High Similarity | 0.8675 | NPC469786 |
High Similarity | 0.8675 | NPC73952 |
High Similarity | 0.8675 | NPC259644 |
High Similarity | 0.8675 | NPC469763 |
High Similarity | 0.8675 | NPC25008 |
High Similarity | 0.8658 | NPC471957 |
High Similarity | 0.8649 | NPC159856 |
High Similarity | 0.8636 | NPC44773 |
High Similarity | 0.8636 | NPC215584 |
High Similarity | 0.8618 | NPC80597 |
High Similarity | 0.8618 | NPC212376 |
High Similarity | 0.8618 | NPC211572 |
High Similarity | 0.8618 | NPC75540 |
High Similarity | 0.8618 | NPC70922 |
High Similarity | 0.86 | NPC321911 |
High Similarity | 0.8591 | NPC143872 |
High Similarity | 0.8553 | NPC200214 |
High Similarity | 0.8533 | NPC469811 |
High Similarity | 0.8533 | NPC201380 |
High Similarity | 0.8533 | NPC179787 |
High Similarity | 0.8503 | NPC2949 |
Intermediate Similarity | 0.8487 | NPC470823 |
Intermediate Similarity | 0.8467 | NPC63545 |
Intermediate Similarity | 0.8462 | NPC475450 |
Intermediate Similarity | 0.8462 | NPC179365 |
Intermediate Similarity | 0.8442 | NPC469785 |
Intermediate Similarity | 0.8431 | NPC141926 |
Intermediate Similarity | 0.8431 | NPC325903 |
Intermediate Similarity | 0.8425 | NPC150259 |
Intermediate Similarity | 0.8408 | NPC317105 |
Intermediate Similarity | 0.8392 | NPC22079 |
Intermediate Similarity | 0.8387 | NPC469762 |
Intermediate Similarity | 0.8377 | NPC34844 |
Intermediate Similarity | 0.8366 | NPC216713 |
Intermediate Similarity | 0.8366 | NPC470233 |
Intermediate Similarity | 0.8365 | NPC201700 |
Intermediate Similarity | 0.8356 | NPC325252 |
Intermediate Similarity | 0.8356 | NPC218268 |
Intermediate Similarity | 0.8322 | NPC473587 |
Intermediate Similarity | 0.8313 | NPC194411 |
Intermediate Similarity | 0.8301 | NPC33421 |
Intermediate Similarity | 0.8299 | NPC251722 |
Intermediate Similarity | 0.8299 | NPC314102 |
Intermediate Similarity | 0.8293 | NPC314919 |
Intermediate Similarity | 0.8291 | NPC311276 |
Intermediate Similarity | 0.8288 | NPC198988 |
Intermediate Similarity | 0.8264 | NPC475428 |
Intermediate Similarity | 0.8258 | NPC38736 |
Intermediate Similarity | 0.8255 | NPC59084 |
Intermediate Similarity | 0.8252 | NPC473762 |
Intermediate Similarity | 0.8235 | NPC124005 |
Intermediate Similarity | 0.8235 | NPC2272 |
Intermediate Similarity | 0.8228 | NPC470203 |
Intermediate Similarity | 0.8214 | NPC41174 |
Intermediate Similarity | 0.821 | NPC477611 |
Intermediate Similarity | 0.82 | NPC473868 |
Intermediate Similarity | 0.82 | NPC63157 |
Intermediate Similarity | 0.8187 | NPC49954 |
Intermediate Similarity | 0.8187 | NPC160105 |
Intermediate Similarity | 0.8187 | NPC474561 |
Intermediate Similarity | 0.8176 | NPC194640 |
Intermediate Similarity | 0.8176 | NPC40779 |
Intermediate Similarity | 0.817 | NPC21605 |
Intermediate Similarity | 0.8165 | NPC470204 |
Intermediate Similarity | 0.816 | NPC275305 |
Intermediate Similarity | 0.816 | NPC37423 |
Intermediate Similarity | 0.8153 | NPC236711 |
Intermediate Similarity | 0.8151 | NPC473930 |
Intermediate Similarity | 0.8113 | NPC282231 |
Intermediate Similarity | 0.8112 | NPC250361 |
Intermediate Similarity | 0.811 | NPC280852 |
Intermediate Similarity | 0.8107 | NPC317030 |
Intermediate Similarity | 0.8105 | NPC316069 |
Intermediate Similarity | 0.8075 | NPC49217 |
Intermediate Similarity | 0.8072 | NPC16659 |
Intermediate Similarity | 0.8067 | NPC88097 |
Intermediate Similarity | 0.8061 | NPC151939 |
Intermediate Similarity | 0.8061 | NPC68354 |
Intermediate Similarity | 0.8061 | NPC59269 |
Intermediate Similarity | 0.8054 | NPC125746 |
Intermediate Similarity | 0.805 | NPC131718 |
Intermediate Similarity | 0.805 | NPC279918 |
Intermediate Similarity | 0.805 | NPC122141 |
Intermediate Similarity | 0.8025 | NPC63751 |
Intermediate Similarity | 0.8023 | NPC315617 |
Intermediate Similarity | 0.8023 | NPC316359 |
Intermediate Similarity | 0.8013 | NPC115611 |
Intermediate Similarity | 0.8012 | NPC176199 |
Intermediate Similarity | 0.8012 | NPC265710 |
Intermediate Similarity | 0.8012 | NPC215795 |
Intermediate Similarity | 0.8012 | NPC213468 |
Intermediate Similarity | 0.8 | NPC204565 |
Intermediate Similarity | 0.8 | NPC16667 |
Intermediate Similarity | 0.8 | NPC169433 |
Intermediate Similarity | 0.8 | NPC187951 |
Intermediate Similarity | 0.8 | NPC37548 |
Intermediate Similarity | 0.7988 | NPC314603 |
Intermediate Similarity | 0.7987 | NPC129042 |
Intermediate Similarity | 0.7987 | NPC221786 |
Intermediate Similarity | 0.7987 | NPC475990 |
Intermediate Similarity | 0.7987 | NPC230869 |
Intermediate Similarity | 0.7987 | NPC474880 |
Intermediate Similarity | 0.7975 | NPC184476 |
Intermediate Similarity | 0.7974 | NPC242556 |
Intermediate Similarity | 0.7964 | NPC300688 |
Intermediate Similarity | 0.7953 | NPC65215 |
Intermediate Similarity | 0.7953 | NPC173028 |
Intermediate Similarity | 0.7952 | NPC284775 |
Intermediate Similarity | 0.7952 | NPC473380 |
Intermediate Similarity | 0.7952 | NPC240088 |
Intermediate Similarity | 0.795 | NPC149265 |
Intermediate Similarity | 0.7935 | NPC477134 |
Intermediate Similarity | 0.7922 | NPC204141 |
Intermediate Similarity | 0.7919 | NPC316018 |
Intermediate Similarity | 0.7919 | NPC314058 |
Intermediate Similarity | 0.7911 | NPC477815 |
Intermediate Similarity | 0.7902 | NPC46358 |
Intermediate Similarity | 0.7901 | NPC17751 |
Intermediate Similarity | 0.7901 | NPC280864 |
Intermediate Similarity | 0.7892 | NPC474958 |
Intermediate Similarity | 0.7891 | NPC282398 |
Intermediate Similarity | 0.7862 | NPC51054 |
Intermediate Similarity | 0.7853 | NPC54988 |
Intermediate Similarity | 0.7847 | NPC27740 |
Intermediate Similarity | 0.7844 | NPC248454 |
Intermediate Similarity | 0.784 | NPC102423 |
Intermediate Similarity | 0.7836 | NPC474707 |
Intermediate Similarity | 0.7834 | NPC40070 |
Intermediate Similarity | 0.7829 | NPC104483 |
Intermediate Similarity | 0.7829 | NPC312092 |
Intermediate Similarity | 0.7826 | NPC229173 |
Intermediate Similarity | 0.7826 | NPC473320 |
Intermediate Similarity | 0.7821 | NPC470111 |
Intermediate Similarity | 0.7818 | NPC470498 |
Intermediate Similarity | 0.7818 | NPC82331 |
Intermediate Similarity | 0.7806 | NPC285731 |
Intermediate Similarity | 0.7806 | NPC470440 |
Intermediate Similarity | 0.7799 | NPC470507 |
Intermediate Similarity | 0.7792 | NPC20144 |
Intermediate Similarity | 0.7791 | NPC274229 |
Intermediate Similarity | 0.7778 | NPC15102 |
Intermediate Similarity | 0.7778 | NPC99939 |
Intermediate Similarity | 0.7778 | NPC308931 |
Intermediate Similarity | 0.7771 | NPC474177 |
Intermediate Similarity | 0.7771 | NPC313791 |
Intermediate Similarity | 0.7764 | NPC67056 |
Intermediate Similarity | 0.7758 | NPC280548 |
Intermediate Similarity | 0.7758 | NPC97343 |
Intermediate Similarity | 0.7751 | NPC164228 |
Intermediate Similarity | 0.775 | NPC285469 |
Intermediate Similarity | 0.7746 | NPC213629 |
Intermediate Similarity | 0.7738 | NPC14113 |
Intermediate Similarity | 0.7738 | NPC145885 |
Intermediate Similarity | 0.7738 | NPC84827 |
Intermediate Similarity | 0.773 | NPC271734 |
Intermediate Similarity | 0.773 | NPC472587 |
Intermediate Similarity | 0.7727 | NPC133366 |
Intermediate Similarity | 0.7727 | NPC476454 |
Intermediate Similarity | 0.7711 | NPC6982 |
Intermediate Similarity | 0.7706 | NPC233936 |
Intermediate Similarity | 0.7702 | NPC129721 |
Intermediate Similarity | 0.7697 | NPC78020 |
Intermediate Similarity | 0.7692 | NPC11126 |
Intermediate Similarity | 0.7692 | NPC215519 |
Intermediate Similarity | 0.7688 | NPC207726 |
TTD   | DIB002667 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 242.18 |
ALogP   | -1.3941 |
MLogP   | 3 |
XLogP   | 4.024 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 27.82 |
RO5 Violation   | 0 |