Drug ID:   | NPD44 |
Drug Name:   | Pimavanserin Tartrate |
Molecular Formula:   | 2C25H34FN3O2.C4H6O6 |
Canonical SMILES:   | OC(C(C(=O)O)O)C(=O)O.CC(COc1ccc(cc1)CN=C(N(C1CCN(CC1)C)Cc1ccc(cc1)F)O)C.CC(COc1ccc(cc1)CN=C(N(C1CCN(CC1)C)Cc1ccc(cc1)F)O)C |
Standard InCHI:   | InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10) |
Standard InCHIKey:   | RGSULKHNAKTFIZ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.7762 | NPC471321 |
Intermediate Similarity | 0.7762 | NPC471306 |
Intermediate Similarity | 0.7754 | NPC263835 |
Intermediate Similarity | 0.7718 | NPC189724 |
Intermediate Similarity | 0.7718 | NPC212850 |
Intermediate Similarity | 0.7718 | NPC83289 |
Intermediate Similarity | 0.7632 | NPC247298 |
Intermediate Similarity | 0.7532 | NPC245974 |
Intermediate Similarity | 0.7483 | NPC471953 |
Intermediate Similarity | 0.7483 | NPC314682 |
Intermediate Similarity | 0.7483 | NPC274732 |
Intermediate Similarity | 0.7468 | NPC185838 |
Intermediate Similarity | 0.7448 | NPC172403 |
Intermediate Similarity | 0.7434 | NPC213206 |
Intermediate Similarity | 0.7434 | NPC328750 |
Intermediate Similarity | 0.7434 | NPC474915 |
Intermediate Similarity | 0.7434 | NPC188163 |
Intermediate Similarity | 0.7429 | NPC256369 |
Intermediate Similarity | 0.7421 | NPC315257 |
Intermediate Similarity | 0.7376 | NPC321133 |
Intermediate Similarity | 0.7372 | NPC321505 |
Intermediate Similarity | 0.7372 | NPC191376 |
Intermediate Similarity | 0.7372 | NPC476151 |
Intermediate Similarity | 0.7372 | NPC179825 |
Intermediate Similarity | 0.7333 | NPC237227 |
Intermediate Similarity | 0.7329 | NPC25084 |
Intermediate Similarity | 0.7329 | NPC247639 |
Intermediate Similarity | 0.7325 | NPC24233 |
Intermediate Similarity | 0.7325 | NPC476571 |
Intermediate Similarity | 0.7325 | NPC428 |
Intermediate Similarity | 0.7325 | NPC135538 |
Intermediate Similarity | 0.7325 | NPC147390 |
Intermediate Similarity | 0.7325 | NPC246587 |
Intermediate Similarity | 0.732 | NPC470925 |
Intermediate Similarity | 0.7305 | NPC43275 |
Intermediate Similarity | 0.7292 | NPC328267 |
Intermediate Similarity | 0.7286 | NPC323948 |
Intermediate Similarity | 0.7278 | NPC477565 |
Intermediate Similarity | 0.7278 | NPC103379 |
Intermediate Similarity | 0.726 | NPC218323 |
Intermediate Similarity | 0.7229 | NPC317272 |
Intermediate Similarity | 0.7229 | NPC268503 |
Intermediate Similarity | 0.7229 | NPC256012 |
Intermediate Similarity | 0.7229 | NPC42549 |
Intermediate Similarity | 0.7229 | NPC250846 |
Intermediate Similarity | 0.7229 | NPC240841 |
Intermediate Similarity | 0.7226 | NPC136860 |
Intermediate Similarity | 0.7226 | NPC128019 |
Intermediate Similarity | 0.7226 | NPC476567 |
Intermediate Similarity | 0.7222 | NPC471314 |
Intermediate Similarity | 0.7222 | NPC471315 |
Intermediate Similarity | 0.7215 | NPC7467 |
Intermediate Similarity | 0.7172 | NPC211218 |
Intermediate Similarity | 0.7172 | NPC307020 |
Intermediate Similarity | 0.717 | NPC207824 |
Intermediate Similarity | 0.717 | NPC60538 |
Intermediate Similarity | 0.7152 | NPC476144 |
Intermediate Similarity | 0.7152 | NPC51957 |
Intermediate Similarity | 0.7152 | NPC210437 |
Intermediate Similarity | 0.7152 | NPC16107 |
Intermediate Similarity | 0.7152 | NPC106295 |
Intermediate Similarity | 0.7143 | NPC303370 |
Intermediate Similarity | 0.7134 | NPC216816 |
Intermediate Similarity | 0.7133 | NPC17388 |
Intermediate Similarity | 0.7133 | NPC118419 |
Intermediate Similarity | 0.7133 | NPC160120 |
Intermediate Similarity | 0.7133 | NPC289330 |
Intermediate Similarity | 0.7133 | NPC41801 |
Intermediate Similarity | 0.7133 | NPC471308 |
Intermediate Similarity | 0.7133 | NPC53596 |
Intermediate Similarity | 0.7125 | NPC97221 |
Intermediate Similarity | 0.7125 | NPC13397 |
Intermediate Similarity | 0.7125 | NPC88249 |
Intermediate Similarity | 0.7125 | NPC151895 |
Intermediate Similarity | 0.7125 | NPC220858 |
Intermediate Similarity | 0.7125 | NPC192768 |
Intermediate Similarity | 0.7124 | NPC193528 |
Intermediate Similarity | 0.7123 | NPC62101 |
Intermediate Similarity | 0.7123 | NPC95733 |
Intermediate Similarity | 0.7122 | NPC26524 |
Intermediate Similarity | 0.7115 | NPC135349 |
Intermediate Similarity | 0.7114 | NPC160193 |
Intermediate Similarity | 0.7108 | NPC475393 |
Intermediate Similarity | 0.7107 | NPC475959 |
Intermediate Similarity | 0.7105 | NPC11147 |
Intermediate Similarity | 0.7101 | NPC166837 |
Intermediate Similarity | 0.7086 | NPC325568 |
Intermediate Similarity | 0.7086 | NPC266425 |
Intermediate Similarity | 0.7081 | NPC476568 |
Intermediate Similarity | 0.7081 | NPC277669 |
Intermediate Similarity | 0.7081 | NPC76213 |
Intermediate Similarity | 0.7078 | NPC36434 |
Intermediate Similarity | 0.7075 | NPC29477 |
Intermediate Similarity | 0.7063 | NPC219162 |
Intermediate Similarity | 0.7063 | NPC92541 |
Intermediate Similarity | 0.7055 | NPC193949 |
Intermediate Similarity | 0.7055 | NPC39701 |
Intermediate Similarity | 0.7055 | NPC54379 |
Intermediate Similarity | 0.7055 | NPC187022 |
Intermediate Similarity | 0.7055 | NPC255253 |
Intermediate Similarity | 0.7055 | NPC80129 |
Intermediate Similarity | 0.7055 | NPC295691 |
Intermediate Similarity | 0.7055 | NPC2413 |
Intermediate Similarity | 0.7055 | NPC189266 |
Intermediate Similarity | 0.7055 | NPC469817 |
Intermediate Similarity | 0.7055 | NPC249797 |
Intermediate Similarity | 0.7055 | NPC278799 |
Intermediate Similarity | 0.7055 | NPC5238 |
Intermediate Similarity | 0.7055 | NPC110416 |
Intermediate Similarity | 0.7055 | NPC204828 |
Intermediate Similarity | 0.7055 | NPC217277 |
Intermediate Similarity | 0.7055 | NPC172765 |
Intermediate Similarity | 0.7055 | NPC207757 |
Intermediate Similarity | 0.7055 | NPC276588 |
Intermediate Similarity | 0.7055 | NPC184026 |
Intermediate Similarity | 0.7055 | NPC127674 |
Intermediate Similarity | 0.7048 | NPC254700 |
Intermediate Similarity | 0.7044 | NPC144863 |
Intermediate Similarity | 0.7044 | NPC95075 |
Intermediate Similarity | 0.7044 | NPC253883 |
Intermediate Similarity | 0.7044 | NPC90844 |
Intermediate Similarity | 0.7041 | NPC66573 |
Intermediate Similarity | 0.7037 | NPC26601 |
Intermediate Similarity | 0.7032 | NPC298821 |
Intermediate Similarity | 0.7027 | NPC301713 |
Intermediate Similarity | 0.7025 | NPC130926 |
Intermediate Similarity | 0.7025 | NPC9373 |
Intermediate Similarity | 0.702 | NPC470392 |
Intermediate Similarity | 0.7019 | NPC274026 |
Intermediate Similarity | 0.7019 | NPC47672 |
Remote Similarity | 0.6994 | NPC2295 |
Remote Similarity | 0.6994 | NPC477564 |
Remote Similarity | 0.6994 | NPC233926 |
Remote Similarity | 0.6987 | NPC123761 |
Remote Similarity | 0.6975 | NPC81733 |
Remote Similarity | 0.6975 | NPC326316 |
Remote Similarity | 0.6972 | NPC258992 |
Remote Similarity | 0.6964 | NPC284183 |
Remote Similarity | 0.6964 | NPC121275 |
Remote Similarity | 0.6964 | NPC4138 |
Remote Similarity | 0.6962 | NPC136951 |
Remote Similarity | 0.6962 | NPC161155 |
Remote Similarity | 0.6962 | NPC97004 |
Remote Similarity | 0.6959 | NPC320242 |
Remote Similarity | 0.6959 | NPC475215 |
Remote Similarity | 0.6959 | NPC108434 |
Remote Similarity | 0.6957 | NPC258222 |
Remote Similarity | 0.6954 | NPC308885 |
Remote Similarity | 0.6954 | NPC255550 |
Remote Similarity | 0.6951 | NPC123323 |
Remote Similarity | 0.6948 | NPC301050 |
Remote Similarity | 0.6948 | NPC42793 |
Remote Similarity | 0.6948 | NPC231884 |
Remote Similarity | 0.6948 | NPC131204 |
Remote Similarity | 0.6948 | NPC167944 |
Remote Similarity | 0.6941 | NPC204908 |
Remote Similarity | 0.6941 | NPC83198 |
Remote Similarity | 0.6937 | NPC277857 |
Remote Similarity | 0.6937 | NPC115144 |
Remote Similarity | 0.6933 | NPC133011 |
Remote Similarity | 0.6933 | NPC82285 |
Remote Similarity | 0.6933 | NPC283079 |
Remote Similarity | 0.6928 | NPC221864 |
Remote Similarity | 0.6918 | NPC97282 |
Remote Similarity | 0.6909 | NPC147091 |
Remote Similarity | 0.6909 | NPC146288 |
Remote Similarity | 0.6908 | NPC247018 |
Remote Similarity | 0.6908 | NPC97870 |
Remote Similarity | 0.6908 | NPC307123 |
Remote Similarity | 0.6905 | NPC233650 |
Remote Similarity | 0.6903 | NPC253429 |
Remote Similarity | 0.6894 | NPC130941 |
Remote Similarity | 0.6894 | NPC76412 |
Remote Similarity | 0.6889 | NPC192596 |
Remote Similarity | 0.6886 | NPC166014 |
Remote Similarity | 0.6886 | NPC230956 |
Remote Similarity | 0.6886 | NPC27410 |
Remote Similarity | 0.6886 | NPC235143 |
Remote Similarity | 0.6886 | NPC119649 |
Remote Similarity | 0.6886 | NPC205255 |
Remote Similarity | 0.6886 | NPC271388 |
Remote Similarity | 0.6884 | NPC146530 |
Remote Similarity | 0.6875 | NPC296085 |
Remote Similarity | 0.6875 | NPC132771 |
Remote Similarity | 0.6867 | NPC251571 |
Remote Similarity | 0.6867 | NPC79328 |
Remote Similarity | 0.6864 | NPC134858 |
Remote Similarity | 0.6863 | NPC285078 |
Remote Similarity | 0.6863 | NPC313737 |
Remote Similarity | 0.6863 | NPC6854 |
Remote Similarity | 0.686 | NPC198498 |
Remote Similarity | 0.686 | NPC10908 |
Remote Similarity | 0.686 | NPC115284 |
Remote Similarity | 0.686 | NPC63646 |
Remote Similarity | 0.686 | NPC76682 |
Remote Similarity | 0.686 | NPC317439 |
Remote Similarity | 0.686 | NPC227060 |
Remote Similarity | 0.686 | NPC276890 |
Remote Similarity | 0.686 | NPC317145 |
Remote Similarity | 0.6849 | NPC83279 |
Molecular Weight   | 427.26 |
ALogP   | 0.1469 |
MLogP   | 3.55 |
XLogP   | 6.132 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 14 |
TPSA   | 48.3 |
RO5 Violation   | 1 |