Drug ID:   | NPD509 |
Drug Name:   | Sumanirole |
Molecular Formula:   | C11H13N3O |
Canonical SMILES:   | CN[C@@H]1Cc2cccc3c2n(C1)c(O)n3 |
Standard InCHI:   | InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1 |
Standard InCHIKey:   | RKZSNTNMEFVBDT-MRVPVSSYSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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 |
---|---|---|
Intermediate Similarity | 0.8272 | NPC300238 |
Intermediate Similarity | 0.8228 | NPC114209 |
Intermediate Similarity | 0.8107 | NPC317054 |
Intermediate Similarity | 0.8086 | NPC476219 |
Intermediate Similarity | 0.8086 | NPC476297 |
Intermediate Similarity | 0.7875 | NPC204141 |
Intermediate Similarity | 0.7862 | NPC42483 |
Intermediate Similarity | 0.7841 | NPC476341 |
Intermediate Similarity | 0.7821 | NPC216159 |
Intermediate Similarity | 0.7707 | NPC325252 |
Intermediate Similarity | 0.7679 | NPC470204 |
Intermediate Similarity | 0.7643 | NPC198988 |
Intermediate Similarity | 0.7633 | NPC470203 |
Intermediate Similarity | 0.7627 | NPC471609 |
Intermediate Similarity | 0.7625 | NPC115611 |
Intermediate Similarity | 0.7529 | NPC225018 |
Intermediate Similarity | 0.7515 | NPC321911 |
Intermediate Similarity | 0.7515 | NPC282531 |
Intermediate Similarity | 0.7471 | NPC122141 |
Intermediate Similarity | 0.7455 | NPC179787 |
Intermediate Similarity | 0.7455 | NPC201380 |
Intermediate Similarity | 0.7455 | NPC469811 |
Intermediate Similarity | 0.7453 | NPC88097 |
Intermediate Similarity | 0.7439 | NPC470440 |
Intermediate Similarity | 0.7438 | NPC125746 |
Intermediate Similarity | 0.7425 | NPC469975 |
Intermediate Similarity | 0.7399 | NPC49217 |
Intermediate Similarity | 0.7394 | NPC63545 |
Intermediate Similarity | 0.7337 | NPC120070 |
Intermediate Similarity | 0.7317 | NPC190296 |
Intermediate Similarity | 0.7283 | NPC247987 |
Intermediate Similarity | 0.7278 | NPC325903 |
Intermediate Similarity | 0.7267 | NPC218268 |
Intermediate Similarity | 0.7256 | NPC63157 |
Intermediate Similarity | 0.7256 | NPC473868 |
Intermediate Similarity | 0.7251 | NPC236711 |
Intermediate Similarity | 0.7246 | NPC470111 |
Intermediate Similarity | 0.7239 | NPC104483 |
Intermediate Similarity | 0.7229 | NPC314372 |
Intermediate Similarity | 0.7212 | NPC20144 |
Intermediate Similarity | 0.7198 | NPC108011 |
Intermediate Similarity | 0.7195 | NPC2949 |
Intermediate Similarity | 0.7195 | NPC284635 |
Intermediate Similarity | 0.7195 | NPC59084 |
Intermediate Similarity | 0.7186 | NPC143872 |
Intermediate Similarity | 0.717 | NPC22079 |
Intermediate Similarity | 0.7167 | NPC265710 |
Intermediate Similarity | 0.716 | NPC33421 |
Intermediate Similarity | 0.7143 | NPC471957 |
Intermediate Similarity | 0.7134 | NPC73767 |
Intermediate Similarity | 0.7134 | NPC110126 |
Intermediate Similarity | 0.7128 | NPC116555 |
Intermediate Similarity | 0.7128 | NPC71238 |
Intermediate Similarity | 0.7127 | NPC16659 |
Intermediate Similarity | 0.7126 | NPC159856 |
Intermediate Similarity | 0.7117 | NPC84911 |
Intermediate Similarity | 0.7111 | NPC240088 |
Intermediate Similarity | 0.7111 | NPC473380 |
Intermediate Similarity | 0.711 | NPC56765 |
Intermediate Similarity | 0.7101 | NPC288445 |
Intermediate Similarity | 0.7097 | NPC41174 |
Intermediate Similarity | 0.7088 | NPC307191 |
Intermediate Similarity | 0.7086 | NPC478184 |
Intermediate Similarity | 0.7083 | NPC478186 |
Intermediate Similarity | 0.7062 | NPC278874 |
Intermediate Similarity | 0.7059 | NPC24678 |
Intermediate Similarity | 0.7059 | NPC105818 |
Intermediate Similarity | 0.7055 | NPC261195 |
Intermediate Similarity | 0.7055 | NPC96102 |
Intermediate Similarity | 0.7055 | NPC29886 |
Intermediate Similarity | 0.7045 | NPC195507 |
Intermediate Similarity | 0.7045 | NPC2165 |
Intermediate Similarity | 0.7043 | NPC472289 |
Intermediate Similarity | 0.7041 | NPC21605 |
Intermediate Similarity | 0.7022 | NPC194411 |
Intermediate Similarity | 0.7022 | NPC164664 |
Intermediate Similarity | 0.702 | NPC54981 |
Intermediate Similarity | 0.7019 | NPC82295 |
Intermediate Similarity | 0.7012 | NPC105127 |
Intermediate Similarity | 0.7011 | NPC475990 |
Intermediate Similarity | 0.7011 | NPC474880 |
Intermediate Similarity | 0.7011 | NPC293487 |
Intermediate Similarity | 0.7011 | NPC221786 |
Intermediate Similarity | 0.7 | NPC37548 |
Remote Similarity | 0.6995 | NPC469308 |
Remote Similarity | 0.6989 | NPC271797 |
Remote Similarity | 0.6989 | NPC21174 |
Remote Similarity | 0.6989 | NPC317105 |
Remote Similarity | 0.6989 | NPC478182 |
Remote Similarity | 0.6988 | NPC469784 |
Remote Similarity | 0.6988 | NPC469780 |
Remote Similarity | 0.6988 | NPC469783 |
Remote Similarity | 0.6988 | NPC469761 |
Remote Similarity | 0.6988 | NPC469768 |
Remote Similarity | 0.6988 | NPC469779 |
Remote Similarity | 0.6988 | NPC469767 |
Remote Similarity | 0.6983 | NPC105758 |
Remote Similarity | 0.6983 | NPC476686 |
Remote Similarity | 0.6983 | NPC476688 |
Remote Similarity | 0.6977 | NPC259644 |
Remote Similarity | 0.6977 | NPC469763 |
Remote Similarity | 0.6977 | NPC73952 |
Remote Similarity | 0.6977 | NPC469765 |
Remote Similarity | 0.6977 | NPC25008 |
Remote Similarity | 0.6977 | NPC469760 |
Remote Similarity | 0.6977 | NPC469786 |
Remote Similarity | 0.6966 | NPC317430 |
Remote Similarity | 0.6959 | NPC40070 |
Remote Similarity | 0.6957 | NPC472110 |
Remote Similarity | 0.6957 | NPC472109 |
Remote Similarity | 0.6946 | NPC469766 |
Remote Similarity | 0.6946 | NPC88121 |
Remote Similarity | 0.6944 | NPC472123 |
Remote Similarity | 0.6944 | NPC208060 |
Remote Similarity | 0.6944 | NPC314557 |
Remote Similarity | 0.6936 | NPC80597 |
Remote Similarity | 0.6936 | NPC75540 |
Remote Similarity | 0.6936 | NPC70922 |
Remote Similarity | 0.6936 | NPC212376 |
Remote Similarity | 0.6936 | NPC211572 |
Remote Similarity | 0.6932 | NPC224632 |
Remote Similarity | 0.6932 | NPC282231 |
Remote Similarity | 0.6928 | NPC148140 |
Remote Similarity | 0.6919 | NPC216713 |
Remote Similarity | 0.6918 | NPC250361 |
Remote Similarity | 0.6914 | NPC471322 |
Remote Similarity | 0.6914 | NPC477591 |
Remote Similarity | 0.6914 | NPC318065 |
Remote Similarity | 0.6914 | NPC206819 |
Remote Similarity | 0.6906 | NPC275305 |
Remote Similarity | 0.6906 | NPC37423 |
Remote Similarity | 0.6899 | NPC27740 |
Remote Similarity | 0.6894 | NPC473587 |
Remote Similarity | 0.6893 | NPC90723 |
Remote Similarity | 0.6889 | NPC82331 |
Remote Similarity | 0.6886 | NPC279081 |
Remote Similarity | 0.6883 | NPC81561 |
Remote Similarity | 0.6879 | NPC232798 |
Remote Similarity | 0.6879 | NPC200214 |
Remote Similarity | 0.6875 | NPC279918 |
Remote Similarity | 0.6875 | NPC81229 |
Remote Similarity | 0.6875 | NPC229173 |
Remote Similarity | 0.6875 | NPC255229 |
Remote Similarity | 0.6868 | NPC474958 |
Remote Similarity | 0.6868 | NPC315715 |
Remote Similarity | 0.6868 | NPC280852 |
Remote Similarity | 0.6866 | NPC282247 |
Remote Similarity | 0.6864 | NPC242556 |
Remote Similarity | 0.6854 | NPC274229 |
Remote Similarity | 0.6852 | NPC475428 |
Remote Similarity | 0.6839 | NPC38736 |
Remote Similarity | 0.6839 | NPC470507 |
Remote Similarity | 0.6836 | NPC478185 |
Remote Similarity | 0.6835 | NPC46358 |
Remote Similarity | 0.6833 | NPC91895 |
Remote Similarity | 0.6832 | NPC473762 |
Remote Similarity | 0.6831 | NPC68354 |
Remote Similarity | 0.6818 | NPC92796 |
Remote Similarity | 0.6818 | NPC41257 |
Remote Similarity | 0.6818 | NPC135141 |
Remote Similarity | 0.6816 | NPC474561 |
Remote Similarity | 0.6816 | NPC478183 |
Remote Similarity | 0.6816 | NPC471603 |
Remote Similarity | 0.6816 | NPC56233 |
Remote Similarity | 0.6816 | NPC49954 |
Remote Similarity | 0.6811 | NPC477891 |
Remote Similarity | 0.681 | NPC475450 |
Remote Similarity | 0.681 | NPC179365 |
Remote Similarity | 0.6807 | NPC150259 |
Remote Similarity | 0.6802 | NPC187951 |
Remote Similarity | 0.68 | NPC285469 |
Remote Similarity | 0.68 | NPC469785 |
Remote Similarity | 0.6793 | NPC219336 |
Remote Similarity | 0.6793 | NPC176199 |
Remote Similarity | 0.6793 | NPC215795 |
Remote Similarity | 0.6793 | NPC11126 |
Remote Similarity | 0.6786 | NPC238499 |
Remote Similarity | 0.6786 | NPC230002 |
Remote Similarity | 0.6784 | NPC288838 |
Remote Similarity | 0.678 | NPC215584 |
Remote Similarity | 0.678 | NPC44773 |
Remote Similarity | 0.6774 | NPC48938 |
Remote Similarity | 0.6763 | NPC53947 |
Remote Similarity | 0.6761 | NPC469762 |
Remote Similarity | 0.6761 | NPC286427 |
Remote Similarity | 0.6761 | NPC129721 |
Remote Similarity | 0.6758 | NPC161861 |
Remote Similarity | 0.6755 | NPC135601 |
Remote Similarity | 0.6755 | NPC141612 |
Remote Similarity | 0.6755 | NPC17273 |
Remote Similarity | 0.6752 | NPC215519 |
Remote Similarity | 0.6748 | NPC282398 |
Remote Similarity | 0.6742 | NPC194881 |
Remote Similarity | 0.674 | NPC32534 |
Remote Similarity | 0.674 | NPC97343 |
Remote Similarity | 0.6739 | NPC217372 |
Remote Similarity | 0.6739 | NPC183662 |
Remote Similarity | 0.6739 | NPC15573 |
Remote Similarity | 0.6738 | NPC21429 |
Remote Similarity | 0.6738 | NPC472294 |
Molecular Weight   | 203.11 |
ALogP   | -0.7416 |
MLogP   | 2.23 |
XLogP   | 0.952 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 50.08 |
RO5 Violation   | 0 |