Drug ID:   | NPD1528 |
Drug Name:   | |
Molecular Formula:   | C15H11NS |
Canonical SMILES:   | c1ccc2c(c1)SCc1c2[nH]c2c1cccc2 |
Standard InCHI:   | InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2 |
Standard InCHIKey:   | ZGOOPZVQMLHPFM-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 | 0.8867 | NPC474791 |
High Similarity | 0.8686 | NPC250361 |
High Similarity | 0.8561 | NPC473762 |
High Similarity | 0.85 | NPC473587 |
Intermediate Similarity | 0.8467 | NPC148592 |
Intermediate Similarity | 0.8451 | NPC473930 |
Intermediate Similarity | 0.844 | NPC475428 |
Intermediate Similarity | 0.838 | NPC179365 |
Intermediate Similarity | 0.838 | NPC475450 |
Intermediate Similarity | 0.8261 | NPC41174 |
Intermediate Similarity | 0.8182 | NPC22079 |
Intermediate Similarity | 0.8108 | NPC312092 |
Intermediate Similarity | 0.8082 | NPC198988 |
Intermediate Similarity | 0.8054 | NPC284635 |
Intermediate Similarity | 0.8052 | NPC470823 |
Intermediate Similarity | 0.8052 | NPC216713 |
Intermediate Similarity | 0.8027 | NPC325252 |
Intermediate Similarity | 0.8 | NPC161108 |
Intermediate Similarity | 0.7987 | NPC88097 |
Intermediate Similarity | 0.7971 | NPC54102 |
Intermediate Similarity | 0.7971 | NPC162689 |
Intermediate Similarity | 0.7933 | NPC115611 |
Intermediate Similarity | 0.7902 | NPC476140 |
Intermediate Similarity | 0.7892 | NPC164228 |
Intermediate Similarity | 0.7815 | NPC2949 |
Intermediate Similarity | 0.7815 | NPC59084 |
Intermediate Similarity | 0.7785 | NPC261195 |
Intermediate Similarity | 0.7785 | NPC96102 |
Intermediate Similarity | 0.7785 | NPC29886 |
Intermediate Similarity | 0.7785 | NPC218268 |
Intermediate Similarity | 0.7763 | NPC473868 |
Intermediate Similarity | 0.7763 | NPC63157 |
Intermediate Similarity | 0.7742 | NPC471957 |
Intermediate Similarity | 0.7733 | NPC105127 |
Intermediate Similarity | 0.7733 | NPC84911 |
Intermediate Similarity | 0.7698 | NPC148140 |
Intermediate Similarity | 0.7677 | NPC63545 |
Intermediate Similarity | 0.7677 | NPC288838 |
Intermediate Similarity | 0.7658 | NPC325903 |
Intermediate Similarity | 0.7643 | NPC81561 |
Intermediate Similarity | 0.7643 | NPC33421 |
Intermediate Similarity | 0.7639 | NPC122718 |
Intermediate Similarity | 0.7635 | NPC82295 |
Intermediate Similarity | 0.7632 | NPC110126 |
Intermediate Similarity | 0.7632 | NPC73767 |
Intermediate Similarity | 0.7628 | NPC469811 |
Intermediate Similarity | 0.7628 | NPC21605 |
Intermediate Similarity | 0.7628 | NPC201380 |
Intermediate Similarity | 0.7628 | NPC477134 |
Intermediate Similarity | 0.7628 | NPC179787 |
Intermediate Similarity | 0.7616 | NPC125746 |
Intermediate Similarity | 0.7613 | NPC470440 |
Intermediate Similarity | 0.7613 | NPC204141 |
Intermediate Similarity | 0.7582 | NPC469767 |
Intermediate Similarity | 0.7582 | NPC469761 |
Intermediate Similarity | 0.7582 | NPC469768 |
Intermediate Similarity | 0.7582 | NPC469783 |
Intermediate Similarity | 0.7582 | NPC279081 |
Intermediate Similarity | 0.7582 | NPC469779 |
Intermediate Similarity | 0.7582 | NPC469780 |
Intermediate Similarity | 0.7582 | NPC469784 |
Intermediate Similarity | 0.758 | NPC321911 |
Intermediate Similarity | 0.7571 | NPC272483 |
Intermediate Similarity | 0.7548 | NPC242556 |
Intermediate Similarity | 0.7547 | NPC200214 |
Intermediate Similarity | 0.7532 | NPC469766 |
Intermediate Similarity | 0.7532 | NPC53947 |
Intermediate Similarity | 0.7484 | NPC190296 |
Intermediate Similarity | 0.7483 | NPC215519 |
Intermediate Similarity | 0.7469 | NPC475990 |
Intermediate Similarity | 0.7469 | NPC474880 |
Intermediate Similarity | 0.7469 | NPC221786 |
Intermediate Similarity | 0.7468 | NPC230002 |
Intermediate Similarity | 0.7452 | NPC143872 |
Intermediate Similarity | 0.7423 | NPC215584 |
Intermediate Similarity | 0.7423 | NPC229173 |
Intermediate Similarity | 0.7423 | NPC44773 |
Intermediate Similarity | 0.7407 | NPC216643 |
Intermediate Similarity | 0.7389 | NPC159856 |
Intermediate Similarity | 0.7389 | NPC314372 |
Intermediate Similarity | 0.7375 | NPC470233 |
Intermediate Similarity | 0.7365 | NPC474168 |
Intermediate Similarity | 0.7362 | NPC56765 |
Intermediate Similarity | 0.7358 | NPC124005 |
Intermediate Similarity | 0.7358 | NPC37548 |
Intermediate Similarity | 0.7333 | NPC317105 |
Intermediate Similarity | 0.7317 | NPC122141 |
Intermediate Similarity | 0.7301 | NPC286427 |
Intermediate Similarity | 0.7301 | NPC76982 |
Intermediate Similarity | 0.7301 | NPC236711 |
Intermediate Similarity | 0.7261 | NPC320863 |
Intermediate Similarity | 0.7256 | NPC135141 |
Intermediate Similarity | 0.7256 | NPC206819 |
Intermediate Similarity | 0.7256 | NPC41257 |
Intermediate Similarity | 0.7256 | NPC318065 |
Intermediate Similarity | 0.7256 | NPC92796 |
Intermediate Similarity | 0.7251 | NPC248454 |
Intermediate Similarity | 0.725 | NPC2272 |
Intermediate Similarity | 0.7212 | NPC470204 |
Intermediate Similarity | 0.7205 | NPC24678 |
Intermediate Similarity | 0.7205 | NPC105818 |
Intermediate Similarity | 0.7178 | NPC470507 |
Intermediate Similarity | 0.7178 | NPC38736 |
Intermediate Similarity | 0.7178 | NPC471458 |
Intermediate Similarity | 0.7178 | NPC476219 |
Intermediate Similarity | 0.7169 | NPC470203 |
Intermediate Similarity | 0.7161 | NPC251722 |
Intermediate Similarity | 0.7161 | NPC314102 |
Intermediate Similarity | 0.716 | NPC474897 |
Intermediate Similarity | 0.7143 | NPC187951 |
Intermediate Similarity | 0.7134 | NPC285469 |
Intermediate Similarity | 0.7134 | NPC184476 |
Intermediate Similarity | 0.7134 | NPC141353 |
Intermediate Similarity | 0.7126 | NPC271797 |
Intermediate Similarity | 0.7126 | NPC21174 |
Intermediate Similarity | 0.7126 | NPC162799 |
Intermediate Similarity | 0.7125 | NPC129042 |
Intermediate Similarity | 0.7117 | NPC469763 |
Intermediate Similarity | 0.7117 | NPC259644 |
Intermediate Similarity | 0.7117 | NPC141926 |
Intermediate Similarity | 0.7117 | NPC25008 |
Intermediate Similarity | 0.7117 | NPC469765 |
Intermediate Similarity | 0.7117 | NPC73952 |
Intermediate Similarity | 0.7117 | NPC469786 |
Intermediate Similarity | 0.7117 | NPC469760 |
Intermediate Similarity | 0.7115 | NPC169433 |
Intermediate Similarity | 0.7101 | NPC63751 |
Intermediate Similarity | 0.7095 | NPC46358 |
Intermediate Similarity | 0.7091 | NPC299594 |
Intermediate Similarity | 0.7086 | NPC163055 |
Intermediate Similarity | 0.7083 | NPC274229 |
Intermediate Similarity | 0.7073 | NPC70922 |
Intermediate Similarity | 0.7073 | NPC80597 |
Intermediate Similarity | 0.7073 | NPC211572 |
Intermediate Similarity | 0.7073 | NPC476297 |
Intermediate Similarity | 0.7073 | NPC212376 |
Intermediate Similarity | 0.7073 | NPC34844 |
Intermediate Similarity | 0.7073 | NPC75540 |
Intermediate Similarity | 0.707 | NPC104483 |
Intermediate Similarity | 0.7063 | NPC285731 |
Intermediate Similarity | 0.7059 | NPC91895 |
Intermediate Similarity | 0.705 | NPC302790 |
Intermediate Similarity | 0.7044 | NPC20144 |
Intermediate Similarity | 0.703 | NPC469785 |
Intermediate Similarity | 0.7024 | NPC247987 |
Intermediate Similarity | 0.7024 | NPC90723 |
Intermediate Similarity | 0.7019 | NPC478186 |
Intermediate Similarity | 0.7019 | NPC316069 |
Intermediate Similarity | 0.7012 | NPC232798 |
Intermediate Similarity | 0.7006 | NPC279918 |
Intermediate Similarity | 0.7006 | NPC473320 |
Intermediate Similarity | 0.7 | NPC154293 |
Intermediate Similarity | 0.7 | NPC273714 |
Intermediate Similarity | 0.7 | NPC317430 |
Remote Similarity | 0.6994 | NPC280852 |
Remote Similarity | 0.6988 | NPC316910 |
Remote Similarity | 0.6988 | NPC469762 |
Remote Similarity | 0.6977 | NPC252572 |
Remote Similarity | 0.6975 | NPC114209 |
Remote Similarity | 0.6964 | NPC282231 |
Remote Similarity | 0.6964 | NPC16667 |
Remote Similarity | 0.6959 | NPC97343 |
Remote Similarity | 0.6959 | NPC194411 |
Remote Similarity | 0.6946 | NPC230869 |
Remote Similarity | 0.6943 | NPC150259 |
Remote Similarity | 0.6936 | NPC329688 |
Remote Similarity | 0.6936 | NPC189812 |
Remote Similarity | 0.6923 | NPC8104 |
Remote Similarity | 0.6923 | NPC271734 |
Remote Similarity | 0.6919 | NPC82331 |
Remote Similarity | 0.6905 | NPC131718 |
Remote Similarity | 0.6901 | NPC201700 |
Remote Similarity | 0.689 | NPC40070 |
Remote Similarity | 0.6882 | NPC17751 |
Remote Similarity | 0.6882 | NPC115232 |
Remote Similarity | 0.6882 | NPC280864 |
Remote Similarity | 0.6879 | NPC97525 |
Remote Similarity | 0.6879 | NPC161861 |
Remote Similarity | 0.6879 | NPC472123 |
Remote Similarity | 0.6879 | NPC474409 |
Remote Similarity | 0.6879 | NPC477611 |
Remote Similarity | 0.6875 | NPC88121 |
Remote Similarity | 0.6871 | NPC470111 |
Remote Similarity | 0.6867 | NPC207726 |
Remote Similarity | 0.6864 | NPC225018 |
Remote Similarity | 0.6864 | NPC214106 |
Remote Similarity | 0.686 | NPC471943 |
Remote Similarity | 0.6857 | NPC59269 |
Remote Similarity | 0.6845 | NPC469308 |
Remote Similarity | 0.6842 | NPC474561 |
Remote Similarity | 0.6842 | NPC175916 |
Remote Similarity | 0.6842 | NPC49954 |
Remote Similarity | 0.6842 | NPC54988 |
Remote Similarity | 0.6839 | NPC37423 |
Remote Similarity | 0.6839 | NPC275305 |
Remote Similarity | 0.6824 | NPC311276 |
Remote Similarity | 0.6824 | NPC40779 |
Remote Similarity | 0.6824 | NPC102423 |
Remote Similarity | 0.6823 | NPC147810 |
Remote Similarity | 0.6813 | NPC238499 |
Molecular Weight   | 237.06 |
ALogP   | 0.1818 |
MLogP   | 2.89 |
XLogP   | 4.791 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 0 |
TPSA   | 41.09 |
RO5 Violation   | 0 |