Drug ID:   | NPD9569 |
Drug Name:   | Levodopa |
Molecular Formula:   | C9H11NO4 |
Canonical SMILES:   | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N |
Standard InCHI:   | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
Standard InCHIKey:   | WTDRDQBEARUVNC-LURJTMIESA-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 |
---|---|---|
High Similarity | 1.0 | NPC145888 |
High Similarity | 1.0 | NPC16031 |
High Similarity | 1.0 | NPC161593 |
High Similarity | 0.9677 | NPC88667 |
High Similarity | 0.9431 | NPC321561 |
High Similarity | 0.9091 | NPC66518 |
High Similarity | 0.9 | NPC281686 |
High Similarity | 0.9 | NPC188867 |
High Similarity | 0.9 | NPC106551 |
High Similarity | 0.8855 | NPC6913 |
High Similarity | 0.878 | NPC239697 |
High Similarity | 0.8667 | NPC146422 |
High Similarity | 0.8571 | NPC27581 |
High Similarity | 0.8548 | NPC317784 |
High Similarity | 0.8548 | NPC142638 |
High Similarity | 0.85 | NPC222084 |
Intermediate Similarity | 0.8492 | NPC326079 |
Intermediate Similarity | 0.8333 | NPC319950 |
Intermediate Similarity | 0.8293 | NPC148969 |
Intermediate Similarity | 0.8268 | NPC169207 |
Intermediate Similarity | 0.8268 | NPC118522 |
Intermediate Similarity | 0.8268 | NPC115627 |
Intermediate Similarity | 0.8258 | NPC325651 |
Intermediate Similarity | 0.8254 | NPC85276 |
Intermediate Similarity | 0.816 | NPC4665 |
Intermediate Similarity | 0.814 | NPC142577 |
Intermediate Similarity | 0.8 | NPC48909 |
Intermediate Similarity | 0.7969 | NPC63126 |
Intermediate Similarity | 0.7937 | NPC142599 |
Intermediate Similarity | 0.7917 | NPC68055 |
Intermediate Similarity | 0.7879 | NPC140359 |
Intermediate Similarity | 0.7879 | NPC13020 |
Intermediate Similarity | 0.7872 | NPC13696 |
Intermediate Similarity | 0.7868 | NPC45191 |
Intermediate Similarity | 0.7868 | NPC326966 |
Intermediate Similarity | 0.7836 | NPC236347 |
Intermediate Similarity | 0.7836 | NPC323775 |
Intermediate Similarity | 0.7836 | NPC476353 |
Intermediate Similarity | 0.7786 | NPC56634 |
Intermediate Similarity | 0.7778 | NPC296712 |
Intermediate Similarity | 0.7744 | NPC318777 |
Intermediate Similarity | 0.773 | NPC259800 |
Intermediate Similarity | 0.773 | NPC318028 |
Intermediate Similarity | 0.773 | NPC317741 |
Intermediate Similarity | 0.773 | NPC241086 |
Intermediate Similarity | 0.773 | NPC282087 |
Intermediate Similarity | 0.773 | NPC318984 |
Intermediate Similarity | 0.773 | NPC328137 |
Intermediate Similarity | 0.7727 | NPC472271 |
Intermediate Similarity | 0.7727 | NPC177291 |
Intermediate Similarity | 0.7727 | NPC322332 |
Intermediate Similarity | 0.7727 | NPC194416 |
Intermediate Similarity | 0.7724 | NPC1075 |
Intermediate Similarity | 0.7724 | NPC294902 |
Intermediate Similarity | 0.7724 | NPC1786 |
Intermediate Similarity | 0.7721 | NPC478147 |
Intermediate Similarity | 0.7681 | NPC33338 |
Intermediate Similarity | 0.7681 | NPC244866 |
Intermediate Similarity | 0.7681 | NPC300020 |
Intermediate Similarity | 0.7681 | NPC302171 |
Intermediate Similarity | 0.7674 | NPC299252 |
Intermediate Similarity | 0.7674 | NPC61062 |
Intermediate Similarity | 0.7674 | NPC277394 |
Intermediate Similarity | 0.7667 | NPC245561 |
Intermediate Similarity | 0.7667 | NPC125732 |
Intermediate Similarity | 0.766 | NPC48202 |
Intermediate Similarity | 0.7634 | NPC268572 |
Intermediate Similarity | 0.763 | NPC318965 |
Intermediate Similarity | 0.7609 | NPC326599 |
Intermediate Similarity | 0.7609 | NPC329595 |
Intermediate Similarity | 0.7606 | NPC197239 |
Intermediate Similarity | 0.7606 | NPC326860 |
Intermediate Similarity | 0.7603 | NPC52472 |
Intermediate Similarity | 0.7594 | NPC474862 |
Intermediate Similarity | 0.7583 | NPC109955 |
Intermediate Similarity | 0.7582 | NPC158900 |
Intermediate Similarity | 0.7578 | NPC309808 |
Intermediate Similarity | 0.7578 | NPC264558 |
Intermediate Similarity | 0.7557 | NPC122009 |
Intermediate Similarity | 0.7556 | NPC288945 |
Intermediate Similarity | 0.7556 | NPC85565 |
Intermediate Similarity | 0.7556 | NPC471927 |
Intermediate Similarity | 0.7552 | NPC323123 |
Intermediate Similarity | 0.754 | NPC290566 |
Intermediate Similarity | 0.754 | NPC326187 |
Intermediate Similarity | 0.754 | NPC145638 |
Intermediate Similarity | 0.7519 | NPC284078 |
Intermediate Similarity | 0.75 | NPC324569 |
Intermediate Similarity | 0.75 | NPC13495 |
Intermediate Similarity | 0.75 | NPC10781 |
Intermediate Similarity | 0.75 | NPC156654 |
Intermediate Similarity | 0.75 | NPC293628 |
Intermediate Similarity | 0.75 | NPC280767 |
Intermediate Similarity | 0.75 | NPC122493 |
Intermediate Similarity | 0.7483 | NPC219233 |
Intermediate Similarity | 0.7483 | NPC170170 |
Intermediate Similarity | 0.7483 | NPC211468 |
Intermediate Similarity | 0.7481 | NPC283468 |
Intermediate Similarity | 0.7481 | NPC150919 |
Intermediate Similarity | 0.7466 | NPC125852 |
Intermediate Similarity | 0.7444 | NPC265454 |
Intermediate Similarity | 0.7444 | NPC34634 |
Intermediate Similarity | 0.744 | NPC317592 |
Intermediate Similarity | 0.7424 | NPC205502 |
Intermediate Similarity | 0.7422 | NPC163674 |
Intermediate Similarity | 0.7422 | NPC226250 |
Intermediate Similarity | 0.7419 | NPC52087 |
Intermediate Similarity | 0.7419 | NPC471511 |
Intermediate Similarity | 0.7415 | NPC17760 |
Intermediate Similarity | 0.7398 | NPC110764 |
Intermediate Similarity | 0.7394 | NPC6570 |
Intermediate Similarity | 0.7391 | NPC281020 |
Intermediate Similarity | 0.7388 | NPC236520 |
Intermediate Similarity | 0.7388 | NPC294361 |
Intermediate Similarity | 0.7388 | NPC98305 |
Intermediate Similarity | 0.7385 | NPC221870 |
Intermediate Similarity | 0.7383 | NPC241392 |
Intermediate Similarity | 0.7368 | NPC283760 |
Intermediate Similarity | 0.7368 | NPC299406 |
Intermediate Similarity | 0.7364 | NPC48525 |
Intermediate Similarity | 0.7364 | NPC131530 |
Intermediate Similarity | 0.7348 | NPC200988 |
Intermediate Similarity | 0.7348 | NPC610 |
Intermediate Similarity | 0.7348 | NPC175799 |
Intermediate Similarity | 0.7348 | NPC137096 |
Intermediate Similarity | 0.7348 | NPC278652 |
Intermediate Similarity | 0.7348 | NPC120075 |
Intermediate Similarity | 0.7348 | NPC145023 |
Intermediate Similarity | 0.7339 | NPC196479 |
Intermediate Similarity | 0.7338 | NPC271808 |
Intermediate Similarity | 0.7317 | NPC223393 |
Intermediate Similarity | 0.7317 | NPC29601 |
Intermediate Similarity | 0.7308 | NPC95381 |
Intermediate Similarity | 0.7305 | NPC470392 |
Intermediate Similarity | 0.7295 | NPC260000 |
Intermediate Similarity | 0.7293 | NPC203124 |
Intermediate Similarity | 0.7293 | NPC309434 |
Intermediate Similarity | 0.7293 | NPC86198 |
Intermediate Similarity | 0.7292 | NPC238412 |
Intermediate Similarity | 0.7287 | NPC280382 |
Intermediate Similarity | 0.7287 | NPC297657 |
Intermediate Similarity | 0.7286 | NPC241354 |
Intermediate Similarity | 0.728 | NPC12278 |
Intermediate Similarity | 0.728 | NPC79672 |
Intermediate Similarity | 0.728 | NPC120719 |
Intermediate Similarity | 0.7279 | NPC86900 |
Intermediate Similarity | 0.7273 | NPC107522 |
Intermediate Similarity | 0.7266 | NPC71266 |
Intermediate Similarity | 0.7266 | NPC158654 |
Intermediate Similarity | 0.7252 | NPC217472 |
Intermediate Similarity | 0.7252 | NPC328593 |
Intermediate Similarity | 0.7252 | NPC33749 |
Intermediate Similarity | 0.7252 | NPC261453 |
Intermediate Similarity | 0.7239 | NPC141791 |
Intermediate Similarity | 0.7239 | NPC109371 |
Intermediate Similarity | 0.7239 | NPC263386 |
Intermediate Similarity | 0.7239 | NPC470214 |
Intermediate Similarity | 0.7239 | NPC470215 |
Intermediate Similarity | 0.7239 | NPC70084 |
Intermediate Similarity | 0.7236 | NPC280869 |
Intermediate Similarity | 0.7236 | NPC131587 |
Intermediate Similarity | 0.7231 | NPC51698 |
Intermediate Similarity | 0.7226 | NPC163083 |
Intermediate Similarity | 0.7222 | NPC239291 |
Intermediate Similarity | 0.7206 | NPC201777 |
Intermediate Similarity | 0.7206 | NPC211992 |
Intermediate Similarity | 0.72 | NPC13426 |
Intermediate Similarity | 0.7197 | NPC474967 |
Intermediate Similarity | 0.7197 | NPC213 |
Intermediate Similarity | 0.7197 | NPC233669 |
Intermediate Similarity | 0.7197 | NPC10286 |
Intermediate Similarity | 0.7192 | NPC91953 |
Intermediate Similarity | 0.7188 | NPC31274 |
Intermediate Similarity | 0.7185 | NPC260837 |
Intermediate Similarity | 0.7183 | NPC208757 |
Intermediate Similarity | 0.7183 | NPC318799 |
Intermediate Similarity | 0.7183 | NPC198388 |
Intermediate Similarity | 0.7172 | NPC471283 |
Intermediate Similarity | 0.7165 | NPC19149 |
Intermediate Similarity | 0.7165 | NPC477814 |
Intermediate Similarity | 0.7164 | NPC104514 |
Intermediate Similarity | 0.7164 | NPC275519 |
Intermediate Similarity | 0.7163 | NPC94810 |
Intermediate Similarity | 0.7163 | NPC226855 |
Intermediate Similarity | 0.7154 | NPC21890 |
Intermediate Similarity | 0.7153 | NPC225710 |
Intermediate Similarity | 0.7153 | NPC109580 |
Intermediate Similarity | 0.7153 | NPC114298 |
Intermediate Similarity | 0.7143 | NPC153990 |
Intermediate Similarity | 0.7143 | NPC281277 |
Intermediate Similarity | 0.7133 | NPC18074 |
Intermediate Similarity | 0.7133 | NPC5419 |
Intermediate Similarity | 0.7133 | NPC25581 |
Intermediate Similarity | 0.7133 | NPC61 |
Intermediate Similarity | 0.7133 | NPC243404 |
Intermediate Similarity | 0.7132 | NPC254833 |
Intermediate Similarity | 0.7132 | NPC470849 |
Intermediate Similarity | 0.7132 | NPC470848 |
Intermediate Similarity | 0.7132 | NPC228343 |
Intermediate Similarity | 0.7123 | NPC197921 |
TTD   | DIB006947; DAP000209 |
DrugBank   | DB01235 |
ChEMBL   | CHEMBL1009 |
IUPHAR/BPS   | 3639 |
PharmaGKB   | PA450213 |
KEGG Drug   | D00059 |
PubChem CID   | 6047 |
ChEBI   | 15765 |
CAS Number   | 59-92-7 |
Molecular Weight   | 197.07 |
ALogP   | -2.005 |
MLogP   | 1.9 |
XLogP   | -2.111 |
HDA   | 3 |
HBD   | 4 |
Rotatable Bonds   | 7 |
TPSA   | 103.78 |
RO5 Violation   | 0 |