Drug ID:   | NPD1918 |
Drug Name:   | |
Molecular Formula:   | C16H14N2 |
Canonical SMILES:   | Cc1cc2ncc(nc2cc1C)c1ccccc1 |
Standard InCHI:   | InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3 |
Standard InCHIKey:   | FQNCLVJEQCJWSU-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 | 0.8929 | NPC169433 |
High Similarity | 0.8857 | NPC314102 |
High Similarity | 0.8857 | NPC251722 |
High Similarity | 0.8696 | NPC282398 |
Intermediate Similarity | 0.8344 | NPC325903 |
Intermediate Similarity | 0.8322 | NPC470111 |
Intermediate Similarity | 0.8322 | NPC201380 |
Intermediate Similarity | 0.8322 | NPC179787 |
Intermediate Similarity | 0.8321 | NPC46358 |
Intermediate Similarity | 0.8312 | NPC44773 |
Intermediate Similarity | 0.8312 | NPC215584 |
Intermediate Similarity | 0.8267 | NPC321911 |
Intermediate Similarity | 0.8255 | NPC63545 |
Intermediate Similarity | 0.8222 | NPC143603 |
Intermediate Similarity | 0.82 | NPC469811 |
Intermediate Similarity | 0.8129 | NPC56765 |
Intermediate Similarity | 0.8092 | NPC40070 |
Intermediate Similarity | 0.8088 | NPC91958 |
Intermediate Similarity | 0.8075 | NPC297034 |
Intermediate Similarity | 0.8067 | NPC86288 |
Intermediate Similarity | 0.8 | NPC122718 |
Intermediate Similarity | 0.8 | NPC51054 |
Intermediate Similarity | 0.7975 | NPC478182 |
Intermediate Similarity | 0.7975 | NPC317105 |
Intermediate Similarity | 0.7949 | NPC236711 |
Intermediate Similarity | 0.7926 | NPC143156 |
Intermediate Similarity | 0.7898 | NPC293487 |
Intermediate Similarity | 0.7898 | NPC318065 |
Intermediate Similarity | 0.7898 | NPC206819 |
Intermediate Similarity | 0.7898 | NPC477591 |
Intermediate Similarity | 0.7862 | NPC90723 |
Intermediate Similarity | 0.7848 | NPC122141 |
Intermediate Similarity | 0.7838 | NPC150259 |
Intermediate Similarity | 0.7834 | NPC286427 |
Intermediate Similarity | 0.7826 | NPC162689 |
Intermediate Similarity | 0.7826 | NPC54102 |
Intermediate Similarity | 0.7806 | NPC470233 |
Intermediate Similarity | 0.7799 | NPC225018 |
Intermediate Similarity | 0.7799 | NPC470203 |
Intermediate Similarity | 0.7785 | NPC41257 |
Intermediate Similarity | 0.7764 | NPC478183 |
Intermediate Similarity | 0.7756 | NPC138842 |
Intermediate Similarity | 0.775 | NPC478184 |
Intermediate Similarity | 0.7736 | NPC470204 |
Intermediate Similarity | 0.7733 | NPC315348 |
Intermediate Similarity | 0.7733 | NPC32002 |
Intermediate Similarity | 0.7733 | NPC316811 |
Intermediate Similarity | 0.7718 | NPC84911 |
Intermediate Similarity | 0.7714 | NPC215519 |
Intermediate Similarity | 0.7697 | NPC280852 |
Intermediate Similarity | 0.7697 | NPC20144 |
Intermediate Similarity | 0.7688 | NPC478185 |
Intermediate Similarity | 0.7682 | NPC469783 |
Intermediate Similarity | 0.7682 | NPC469767 |
Intermediate Similarity | 0.7682 | NPC469780 |
Intermediate Similarity | 0.7682 | NPC469761 |
Intermediate Similarity | 0.7682 | NPC469779 |
Intermediate Similarity | 0.7682 | NPC469768 |
Intermediate Similarity | 0.7682 | NPC115611 |
Intermediate Similarity | 0.7682 | NPC469784 |
Intermediate Similarity | 0.7681 | NPC148140 |
Intermediate Similarity | 0.7669 | NPC91895 |
Intermediate Similarity | 0.7662 | NPC288838 |
Intermediate Similarity | 0.766 | NPC265605 |
Intermediate Similarity | 0.766 | NPC48564 |
Intermediate Similarity | 0.766 | NPC182570 |
Intermediate Similarity | 0.7654 | NPC56233 |
Intermediate Similarity | 0.7651 | NPC29886 |
Intermediate Similarity | 0.7651 | NPC96102 |
Intermediate Similarity | 0.7651 | NPC261195 |
Intermediate Similarity | 0.7632 | NPC469766 |
Intermediate Similarity | 0.763 | NPC27802 |
Intermediate Similarity | 0.7628 | NPC33421 |
Intermediate Similarity | 0.7628 | NPC53947 |
Intermediate Similarity | 0.7626 | NPC240136 |
Intermediate Similarity | 0.7626 | NPC297486 |
Intermediate Similarity | 0.7626 | NPC81561 |
Intermediate Similarity | 0.7626 | NPC471402 |
Intermediate Similarity | 0.7622 | NPC476322 |
Intermediate Similarity | 0.7619 | NPC256893 |
Intermediate Similarity | 0.7616 | NPC73767 |
Intermediate Similarity | 0.7616 | NPC110126 |
Intermediate Similarity | 0.7603 | NPC476131 |
Intermediate Similarity | 0.76 | NPC105127 |
Intermediate Similarity | 0.7595 | NPC476219 |
Intermediate Similarity | 0.7593 | NPC274229 |
Intermediate Similarity | 0.7584 | NPC198988 |
Intermediate Similarity | 0.7561 | NPC32534 |
Intermediate Similarity | 0.7561 | NPC194411 |
Intermediate Similarity | 0.7552 | NPC290094 |
Intermediate Similarity | 0.7551 | NPC69914 |
Intermediate Similarity | 0.7533 | NPC325252 |
Intermediate Similarity | 0.753 | NPC471579 |
Intermediate Similarity | 0.7516 | NPC88121 |
Intermediate Similarity | 0.7515 | NPC201634 |
Intermediate Similarity | 0.7515 | NPC82331 |
Intermediate Similarity | 0.75 | NPC101165 |
Intermediate Similarity | 0.75 | NPC82295 |
Intermediate Similarity | 0.7485 | NPC474958 |
Intermediate Similarity | 0.7484 | NPC476297 |
Intermediate Similarity | 0.7468 | NPC190296 |
Intermediate Similarity | 0.7455 | NPC97343 |
Intermediate Similarity | 0.7453 | NPC300238 |
Intermediate Similarity | 0.7451 | NPC284635 |
Intermediate Similarity | 0.7451 | NPC279081 |
Intermediate Similarity | 0.7448 | NPC166424 |
Intermediate Similarity | 0.7448 | NPC245244 |
Intermediate Similarity | 0.7448 | NPC146373 |
Intermediate Similarity | 0.7425 | NPC317054 |
Intermediate Similarity | 0.7425 | NPC275305 |
Intermediate Similarity | 0.7425 | NPC37423 |
Intermediate Similarity | 0.7407 | NPC231655 |
Intermediate Similarity | 0.7407 | NPC76540 |
Intermediate Similarity | 0.7397 | NPC202957 |
Intermediate Similarity | 0.7397 | NPC169625 |
Intermediate Similarity | 0.7396 | NPC12649 |
Intermediate Similarity | 0.7391 | NPC216643 |
Intermediate Similarity | 0.7386 | NPC104483 |
Intermediate Similarity | 0.7386 | NPC88097 |
Intermediate Similarity | 0.7379 | NPC27740 |
Intermediate Similarity | 0.7372 | NPC314372 |
Intermediate Similarity | 0.7372 | NPC285731 |
Intermediate Similarity | 0.7361 | NPC329825 |
Intermediate Similarity | 0.7346 | NPC6436 |
Intermediate Similarity | 0.7342 | NPC288445 |
Intermediate Similarity | 0.7338 | NPC230002 |
Intermediate Similarity | 0.7337 | NPC68354 |
Intermediate Similarity | 0.7337 | NPC237188 |
Intermediate Similarity | 0.7329 | NPC476464 |
Intermediate Similarity | 0.7325 | NPC143872 |
Intermediate Similarity | 0.7325 | NPC478186 |
Intermediate Similarity | 0.7297 | NPC89490 |
Intermediate Similarity | 0.7296 | NPC24678 |
Intermediate Similarity | 0.7296 | NPC105818 |
Intermediate Similarity | 0.7294 | NPC215795 |
Intermediate Similarity | 0.7294 | NPC176199 |
Intermediate Similarity | 0.7284 | NPC469897 |
Intermediate Similarity | 0.7284 | NPC129721 |
Intermediate Similarity | 0.7278 | NPC471957 |
Intermediate Similarity | 0.7273 | NPC312092 |
Intermediate Similarity | 0.7267 | NPC179365 |
Intermediate Similarity | 0.7261 | NPC159856 |
Intermediate Similarity | 0.7251 | NPC24864 |
Intermediate Similarity | 0.7248 | NPC475105 |
Intermediate Similarity | 0.7248 | NPC329896 |
Intermediate Similarity | 0.7248 | NPC475090 |
Intermediate Similarity | 0.7239 | NPC92796 |
Intermediate Similarity | 0.7239 | NPC135141 |
Intermediate Similarity | 0.723 | NPC471311 |
Intermediate Similarity | 0.723 | NPC471313 |
Intermediate Similarity | 0.7226 | NPC59084 |
Intermediate Similarity | 0.7226 | NPC2949 |
Intermediate Similarity | 0.7216 | NPC231536 |
Intermediate Similarity | 0.7212 | NPC265100 |
Intermediate Similarity | 0.7209 | NPC191415 |
Intermediate Similarity | 0.7209 | NPC307191 |
Intermediate Similarity | 0.7205 | NPC259644 |
Intermediate Similarity | 0.7205 | NPC469763 |
Intermediate Similarity | 0.7205 | NPC25008 |
Intermediate Similarity | 0.7205 | NPC469786 |
Intermediate Similarity | 0.7205 | NPC469760 |
Intermediate Similarity | 0.7205 | NPC469765 |
Intermediate Similarity | 0.7205 | NPC73952 |
Intermediate Similarity | 0.72 | NPC22079 |
Intermediate Similarity | 0.7186 | NPC70949 |
Intermediate Similarity | 0.7179 | NPC63157 |
Intermediate Similarity | 0.7179 | NPC473868 |
Intermediate Similarity | 0.7178 | NPC167635 |
Intermediate Similarity | 0.7178 | NPC193740 |
Intermediate Similarity | 0.717 | NPC21605 |
Intermediate Similarity | 0.7162 | NPC250361 |
Intermediate Similarity | 0.7162 | NPC476140 |
Intermediate Similarity | 0.716 | NPC70922 |
Intermediate Similarity | 0.716 | NPC212376 |
Intermediate Similarity | 0.716 | NPC80597 |
Intermediate Similarity | 0.716 | NPC75540 |
Intermediate Similarity | 0.716 | NPC211572 |
Intermediate Similarity | 0.7152 | NPC470440 |
Intermediate Similarity | 0.7152 | NPC475450 |
Intermediate Similarity | 0.7152 | NPC469525 |
Intermediate Similarity | 0.7143 | NPC235843 |
Intermediate Similarity | 0.7143 | NPC470823 |
Intermediate Similarity | 0.7135 | NPC157583 |
Intermediate Similarity | 0.7134 | NPC80681 |
Intermediate Similarity | 0.7134 | NPC475990 |
Intermediate Similarity | 0.7134 | NPC221786 |
Intermediate Similarity | 0.7134 | NPC474880 |
Intermediate Similarity | 0.7133 | NPC473587 |
Intermediate Similarity | 0.7126 | NPC284678 |
Intermediate Similarity | 0.7126 | NPC467063 |
Intermediate Similarity | 0.7126 | NPC108011 |
Intermediate Similarity | 0.7119 | NPC95783 |
Intermediate Similarity | 0.7111 | NPC128244 |
Intermediate Similarity | 0.7105 | NPC473930 |
Intermediate Similarity | 0.7099 | NPC141926 |
Intermediate Similarity | 0.7099 | NPC200214 |
Intermediate Similarity | 0.7091 | NPC229173 |
Intermediate Similarity | 0.7086 | NPC475428 |
Intermediate Similarity | 0.7083 | NPC63751 |
Intermediate Similarity | 0.7078 | NPC218268 |
Molecular Weight   | 234.12 |
ALogP   | 1.284 |
MLogP   | 3 |
XLogP   | 5.434 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 25.78 |
RO5 Violation   | 1 |