Drug ID:   | NPD2459 |
Drug Name:   | Safinamide |
Molecular Formula:   | C17H19FN2O2 |
Canonical SMILES:   | OC(=N)[C@@H](NCc1ccc(cc1)OCc1cccc(c1)F)C |
Standard InCHI:   | InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 |
Standard InCHIKey:   | NEMGRZFTLSKBAP-LBPRGKRZSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL; IUPHAR/BPS |
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 | 0.8357 | NPC247018 |
Intermediate Similarity | 0.8357 | NPC97870 |
Intermediate Similarity | 0.8357 | NPC307123 |
Intermediate Similarity | 0.8082 | NPC212850 |
Intermediate Similarity | 0.8082 | NPC83289 |
Intermediate Similarity | 0.8082 | NPC189724 |
Intermediate Similarity | 0.8043 | NPC328267 |
Intermediate Similarity | 0.7987 | NPC233926 |
Intermediate Similarity | 0.7929 | NPC320242 |
Intermediate Similarity | 0.7908 | NPC47672 |
Intermediate Similarity | 0.7883 | NPC263835 |
Intermediate Similarity | 0.7867 | NPC247298 |
Intermediate Similarity | 0.7763 | NPC245974 |
Intermediate Similarity | 0.7761 | NPC26524 |
Intermediate Similarity | 0.7727 | NPC207824 |
Intermediate Similarity | 0.7727 | NPC60538 |
Intermediate Similarity | 0.7724 | NPC471953 |
Intermediate Similarity | 0.7724 | NPC274732 |
Intermediate Similarity | 0.7714 | NPC471314 |
Intermediate Similarity | 0.7714 | NPC471315 |
Intermediate Similarity | 0.7681 | NPC43275 |
Intermediate Similarity | 0.7676 | NPC141739 |
Intermediate Similarity | 0.7676 | NPC136112 |
Intermediate Similarity | 0.7643 | NPC156311 |
Intermediate Similarity | 0.7628 | NPC76213 |
Intermediate Similarity | 0.7628 | NPC277669 |
Intermediate Similarity | 0.7606 | NPC62101 |
Intermediate Similarity | 0.7606 | NPC95733 |
Intermediate Similarity | 0.7584 | NPC318591 |
Intermediate Similarity | 0.7584 | NPC231163 |
Intermediate Similarity | 0.7554 | NPC256369 |
Intermediate Similarity | 0.7552 | NPC29477 |
Intermediate Similarity | 0.7535 | NPC211218 |
Intermediate Similarity | 0.7532 | NPC477564 |
Intermediate Similarity | 0.7532 | NPC2295 |
Intermediate Similarity | 0.75 | NPC160120 |
Intermediate Similarity | 0.75 | NPC471308 |
Intermediate Similarity | 0.75 | NPC53596 |
Intermediate Similarity | 0.75 | NPC17388 |
Intermediate Similarity | 0.75 | NPC289330 |
Intermediate Similarity | 0.7483 | NPC470392 |
Intermediate Similarity | 0.7469 | NPC254700 |
Intermediate Similarity | 0.7467 | NPC253429 |
Intermediate Similarity | 0.7467 | NPC214988 |
Intermediate Similarity | 0.7448 | NPC172403 |
Intermediate Similarity | 0.7434 | NPC204546 |
Intermediate Similarity | 0.7432 | NPC267237 |
Intermediate Similarity | 0.7413 | NPC217277 |
Intermediate Similarity | 0.7403 | NPC294249 |
Intermediate Similarity | 0.7397 | NPC471306 |
Intermediate Similarity | 0.7397 | NPC471321 |
Intermediate Similarity | 0.7391 | NPC79328 |
Intermediate Similarity | 0.7388 | NPC97811 |
Intermediate Similarity | 0.7376 | NPC321133 |
Intermediate Similarity | 0.7365 | NPC475215 |
Intermediate Similarity | 0.7365 | NPC108434 |
Intermediate Similarity | 0.7358 | NPC206372 |
Intermediate Similarity | 0.7358 | NPC203424 |
Intermediate Similarity | 0.7355 | NPC185838 |
Intermediate Similarity | 0.7343 | NPC298486 |
Intermediate Similarity | 0.7338 | NPC78530 |
Intermediate Similarity | 0.7333 | NPC237227 |
Intermediate Similarity | 0.7329 | NPC37205 |
Intermediate Similarity | 0.7329 | NPC160931 |
Intermediate Similarity | 0.7325 | NPC76412 |
Intermediate Similarity | 0.7324 | NPC318357 |
Intermediate Similarity | 0.7317 | NPC475393 |
Intermediate Similarity | 0.7315 | NPC160692 |
Intermediate Similarity | 0.7305 | NPC283760 |
Intermediate Similarity | 0.7299 | NPC283207 |
Intermediate Similarity | 0.7278 | NPC258222 |
Intermediate Similarity | 0.7267 | NPC287757 |
Intermediate Similarity | 0.7267 | NPC319320 |
Intermediate Similarity | 0.7266 | NPC303370 |
Intermediate Similarity | 0.7261 | NPC476151 |
Intermediate Similarity | 0.7261 | NPC324081 |
Intermediate Similarity | 0.7261 | NPC179825 |
Intermediate Similarity | 0.7261 | NPC191376 |
Intermediate Similarity | 0.7261 | NPC321505 |
Intermediate Similarity | 0.726 | NPC218323 |
Intermediate Similarity | 0.726 | NPC301713 |
Intermediate Similarity | 0.7255 | NPC314682 |
Intermediate Similarity | 0.7255 | NPC168861 |
Intermediate Similarity | 0.7248 | NPC93882 |
Intermediate Similarity | 0.7248 | NPC208757 |
Intermediate Similarity | 0.7248 | NPC130595 |
Intermediate Similarity | 0.7233 | NPC13397 |
Intermediate Similarity | 0.7229 | NPC195392 |
Intermediate Similarity | 0.7222 | NPC29647 |
Intermediate Similarity | 0.7215 | NPC246587 |
Intermediate Similarity | 0.7215 | NPC135538 |
Intermediate Similarity | 0.7215 | NPC24233 |
Intermediate Similarity | 0.7215 | NPC428 |
Intermediate Similarity | 0.7215 | NPC147390 |
Intermediate Similarity | 0.7215 | NPC476571 |
Intermediate Similarity | 0.7214 | NPC82963 |
Intermediate Similarity | 0.7212 | NPC124433 |
Intermediate Similarity | 0.7212 | NPC293871 |
Intermediate Similarity | 0.7208 | NPC188163 |
Intermediate Similarity | 0.7208 | NPC328750 |
Intermediate Similarity | 0.7208 | NPC323204 |
Intermediate Similarity | 0.7208 | NPC474915 |
Intermediate Similarity | 0.7208 | NPC213206 |
Intermediate Similarity | 0.7205 | NPC315257 |
Intermediate Similarity | 0.72 | NPC6854 |
Intermediate Similarity | 0.72 | NPC313737 |
Intermediate Similarity | 0.72 | NPC285078 |
Intermediate Similarity | 0.7197 | NPC132771 |
Intermediate Similarity | 0.7192 | NPC318965 |
Intermediate Similarity | 0.7181 | NPC255550 |
Intermediate Similarity | 0.7181 | NPC114102 |
Intermediate Similarity | 0.7181 | NPC308885 |
Intermediate Similarity | 0.7172 | NPC255253 |
Intermediate Similarity | 0.717 | NPC103379 |
Intermediate Similarity | 0.717 | NPC477565 |
Intermediate Similarity | 0.7169 | NPC284183 |
Intermediate Similarity | 0.7169 | NPC4138 |
Intermediate Similarity | 0.7169 | NPC121275 |
Intermediate Similarity | 0.7169 | NPC209377 |
Intermediate Similarity | 0.7168 | NPC235194 |
Intermediate Similarity | 0.7164 | NPC42383 |
Intermediate Similarity | 0.7163 | NPC323948 |
Intermediate Similarity | 0.7163 | NPC38458 |
Intermediate Similarity | 0.7163 | NPC311737 |
Intermediate Similarity | 0.716 | NPC80129 |
Intermediate Similarity | 0.716 | NPC187022 |
Intermediate Similarity | 0.7152 | NPC277857 |
Intermediate Similarity | 0.7152 | NPC218530 |
Intermediate Similarity | 0.7152 | NPC115144 |
Intermediate Similarity | 0.7143 | NPC213 |
Intermediate Similarity | 0.7143 | NPC10286 |
Intermediate Similarity | 0.7133 | NPC41801 |
Intermediate Similarity | 0.7133 | NPC214869 |
Intermediate Similarity | 0.7126 | NPC81247 |
Intermediate Similarity | 0.7126 | NPC476573 |
Intermediate Similarity | 0.7126 | NPC35627 |
Intermediate Similarity | 0.7126 | NPC56887 |
Intermediate Similarity | 0.7126 | NPC193853 |
Intermediate Similarity | 0.7126 | NPC223077 |
Intermediate Similarity | 0.7124 | NPC193528 |
Intermediate Similarity | 0.7117 | NPC203784 |
Intermediate Similarity | 0.7117 | NPC126519 |
Intermediate Similarity | 0.7117 | NPC170503 |
Intermediate Similarity | 0.7105 | NPC11147 |
Intermediate Similarity | 0.7101 | NPC21890 |
Intermediate Similarity | 0.7101 | NPC166837 |
Intermediate Similarity | 0.7101 | NPC164608 |
Intermediate Similarity | 0.7099 | NPC56635 |
Intermediate Similarity | 0.7097 | NPC470925 |
Intermediate Similarity | 0.7095 | NPC251571 |
Intermediate Similarity | 0.7078 | NPC211468 |
Intermediate Similarity | 0.7078 | NPC170170 |
Intermediate Similarity | 0.7078 | NPC219233 |
Intermediate Similarity | 0.7071 | NPC118202 |
Intermediate Similarity | 0.7069 | NPC315542 |
Intermediate Similarity | 0.7067 | NPC326966 |
Intermediate Similarity | 0.7055 | NPC307020 |
Intermediate Similarity | 0.7047 | NPC325651 |
Intermediate Similarity | 0.7047 | NPC155838 |
Intermediate Similarity | 0.7042 | NPC137096 |
Intermediate Similarity | 0.7037 | NPC470393 |
Intermediate Similarity | 0.7032 | NPC323123 |
Intermediate Similarity | 0.703 | NPC22014 |
Intermediate Similarity | 0.703 | NPC7393 |
Intermediate Similarity | 0.7025 | NPC9373 |
Intermediate Similarity | 0.7024 | NPC268503 |
Intermediate Similarity | 0.7024 | NPC42549 |
Intermediate Similarity | 0.7024 | NPC256012 |
Intermediate Similarity | 0.7024 | NPC250846 |
Intermediate Similarity | 0.7024 | NPC317272 |
Intermediate Similarity | 0.7024 | NPC240841 |
Intermediate Similarity | 0.7021 | NPC317254 |
Intermediate Similarity | 0.702 | NPC118419 |
Intermediate Similarity | 0.7019 | NPC97221 |
Intermediate Similarity | 0.7019 | NPC220858 |
Intermediate Similarity | 0.7019 | NPC151895 |
Intermediate Similarity | 0.7019 | NPC192768 |
Intermediate Similarity | 0.7019 | NPC88249 |
Intermediate Similarity | 0.7013 | NPC14600 |
Intermediate Similarity | 0.7013 | NPC204848 |
Intermediate Similarity | 0.7013 | NPC471316 |
Intermediate Similarity | 0.7013 | NPC312770 |
Intermediate Similarity | 0.7013 | NPC160607 |
Intermediate Similarity | 0.7013 | NPC41473 |
Intermediate Similarity | 0.7012 | NPC247639 |
Intermediate Similarity | 0.7012 | NPC25084 |
Intermediate Similarity | 0.7006 | NPC470472 |
Intermediate Similarity | 0.7006 | NPC233650 |
Intermediate Similarity | 0.7006 | NPC136860 |
Intermediate Similarity | 0.7006 | NPC128019 |
Intermediate Similarity | 0.7006 | NPC476567 |
Intermediate Similarity | 0.7006 | NPC135349 |
Intermediate Similarity | 0.7 | NPC109925 |
Intermediate Similarity | 0.7 | NPC35961 |
Intermediate Similarity | 0.7 | NPC52029 |
Intermediate Similarity | 0.7 | NPC160193 |
Intermediate Similarity | 0.7 | NPC195749 |
Remote Similarity | 0.6993 | NPC470471 |
Remote Similarity | 0.6987 | NPC474128 |
Remote Similarity | 0.698 | NPC186898 |
TTD   | DCL000189; DCL000972 |
DrugBank   | DB06654 |
ChEMBL   | CHEMBL396778 |
IUPHAR/BPS   | 8291 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 131682 |
ChEBI   | 134718 |
CAS Number   | 133865-89-1 |
Molecular Weight   | 302.14 |
ALogP   | -0.259 |
MLogP   | 2.78 |
XLogP   | 4.203 |
HDA   | 3 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 65.34 |
RO5 Violation   | 0 |