Drug ID:   | NPD4359 |
Drug Name:   | Permethrin |
Molecular Formula:   | C21H20Cl2O3 |
Canonical SMILES:   | ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl |
Standard InCHI:   | InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3 |
Standard InCHIKey:   | RLLPVAHGXHCWKJ-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 |
---|---|---|
High Similarity | 1.0 | NPC320287 |
High Similarity | 0.9569 | NPC234956 |
Intermediate Similarity | 0.8047 | NPC476332 |
Intermediate Similarity | 0.8047 | NPC473464 |
Intermediate Similarity | 0.8031 | NPC322569 |
Intermediate Similarity | 0.8 | NPC170749 |
Intermediate Similarity | 0.7937 | NPC159916 |
Intermediate Similarity | 0.7899 | NPC473855 |
Intermediate Similarity | 0.7899 | NPC473393 |
Intermediate Similarity | 0.7886 | NPC280760 |
Intermediate Similarity | 0.7879 | NPC223807 |
Intermediate Similarity | 0.7874 | NPC98748 |
Intermediate Similarity | 0.7846 | NPC279379 |
Intermediate Similarity | 0.7846 | NPC470887 |
Intermediate Similarity | 0.784 | NPC51345 |
Intermediate Similarity | 0.7836 | NPC475102 |
Intermediate Similarity | 0.7803 | NPC128321 |
Intermediate Similarity | 0.7795 | NPC293424 |
Intermediate Similarity | 0.7769 | NPC157473 |
Intermediate Similarity | 0.7769 | NPC151530 |
Intermediate Similarity | 0.776 | NPC87563 |
Intermediate Similarity | 0.7687 | NPC176590 |
Intermediate Similarity | 0.7686 | NPC326447 |
Intermediate Similarity | 0.7686 | NPC176971 |
Intermediate Similarity | 0.7669 | NPC329272 |
Intermediate Similarity | 0.7667 | NPC283546 |
Intermediate Similarity | 0.7656 | NPC277460 |
Intermediate Similarity | 0.7643 | NPC265335 |
Intermediate Similarity | 0.7642 | NPC259554 |
Intermediate Similarity | 0.7638 | NPC316062 |
Intermediate Similarity | 0.763 | NPC241354 |
Intermediate Similarity | 0.7627 | NPC471576 |
Intermediate Similarity | 0.7615 | NPC471877 |
Intermediate Similarity | 0.7609 | NPC37065 |
Intermediate Similarity | 0.7603 | NPC128730 |
Intermediate Similarity | 0.7603 | NPC238115 |
Intermediate Similarity | 0.7597 | NPC264976 |
Intermediate Similarity | 0.7589 | NPC476191 |
Intermediate Similarity | 0.7578 | NPC45104 |
Intermediate Similarity | 0.7574 | NPC249425 |
Intermediate Similarity | 0.7563 | NPC107101 |
Intermediate Similarity | 0.7561 | NPC291837 |
Intermediate Similarity | 0.7557 | NPC475839 |
Intermediate Similarity | 0.7556 | NPC210674 |
Intermediate Similarity | 0.7554 | NPC281169 |
Intermediate Similarity | 0.7554 | NPC291119 |
Intermediate Similarity | 0.7541 | NPC1065 |
Intermediate Similarity | 0.7541 | NPC326801 |
Intermediate Similarity | 0.754 | NPC109241 |
Intermediate Similarity | 0.754 | NPC303522 |
Intermediate Similarity | 0.7538 | NPC31314 |
Intermediate Similarity | 0.7538 | NPC473290 |
Intermediate Similarity | 0.7538 | NPC193193 |
Intermediate Similarity | 0.7538 | NPC471504 |
Intermediate Similarity | 0.7536 | NPC205915 |
Intermediate Similarity | 0.752 | NPC233238 |
Intermediate Similarity | 0.752 | NPC245552 |
Intermediate Similarity | 0.7519 | NPC75432 |
Intermediate Similarity | 0.7519 | NPC111088 |
Intermediate Similarity | 0.7519 | NPC474237 |
Intermediate Similarity | 0.7518 | NPC258073 |
Intermediate Similarity | 0.75 | NPC9341 |
Intermediate Similarity | 0.75 | NPC474599 |
Intermediate Similarity | 0.75 | NPC188997 |
Intermediate Similarity | 0.75 | NPC33717 |
Intermediate Similarity | 0.75 | NPC307425 |
Intermediate Similarity | 0.75 | NPC476748 |
Intermediate Similarity | 0.75 | NPC81067 |
Intermediate Similarity | 0.75 | NPC149545 |
Intermediate Similarity | 0.75 | NPC90577 |
Intermediate Similarity | 0.7482 | NPC176814 |
Intermediate Similarity | 0.7482 | NPC68779 |
Intermediate Similarity | 0.7482 | NPC300776 |
Intermediate Similarity | 0.7482 | NPC4982 |
Intermediate Similarity | 0.7482 | NPC5310 |
Intermediate Similarity | 0.7481 | NPC95034 |
Intermediate Similarity | 0.7481 | NPC267064 |
Intermediate Similarity | 0.7481 | NPC142087 |
Intermediate Similarity | 0.7465 | NPC79372 |
Intermediate Similarity | 0.7464 | NPC317601 |
Intermediate Similarity | 0.7464 | NPC329427 |
Intermediate Similarity | 0.7462 | NPC43435 |
Intermediate Similarity | 0.7459 | NPC288760 |
Intermediate Similarity | 0.7445 | NPC476399 |
Intermediate Similarity | 0.7445 | NPC307042 |
Intermediate Similarity | 0.7445 | NPC79184 |
Intermediate Similarity | 0.7444 | NPC21238 |
Intermediate Similarity | 0.7444 | NPC261992 |
Intermediate Similarity | 0.7442 | NPC325295 |
Intermediate Similarity | 0.7442 | NPC471503 |
Intermediate Similarity | 0.7442 | NPC471498 |
Intermediate Similarity | 0.7442 | NPC76308 |
Intermediate Similarity | 0.7442 | NPC240664 |
Intermediate Similarity | 0.744 | NPC231251 |
Intermediate Similarity | 0.744 | NPC88868 |
Intermediate Similarity | 0.744 | NPC25067 |
Intermediate Similarity | 0.7438 | NPC179686 |
Intermediate Similarity | 0.7431 | NPC470273 |
Intermediate Similarity | 0.7429 | NPC211386 |
Intermediate Similarity | 0.7429 | NPC113295 |
Intermediate Similarity | 0.7429 | NPC161856 |
Intermediate Similarity | 0.7429 | NPC51087 |
Intermediate Similarity | 0.7424 | NPC476165 |
Intermediate Similarity | 0.7422 | NPC322358 |
Intermediate Similarity | 0.7405 | NPC474874 |
Intermediate Similarity | 0.7405 | NPC168050 |
Intermediate Similarity | 0.7402 | NPC190212 |
Intermediate Similarity | 0.7402 | NPC165106 |
Intermediate Similarity | 0.7395 | NPC470161 |
Intermediate Similarity | 0.7394 | NPC307883 |
Intermediate Similarity | 0.7388 | NPC140521 |
Intermediate Similarity | 0.7388 | NPC89630 |
Intermediate Similarity | 0.7377 | NPC241224 |
Intermediate Similarity | 0.7377 | NPC109637 |
Intermediate Similarity | 0.7376 | NPC307401 |
Intermediate Similarity | 0.7376 | NPC92932 |
Intermediate Similarity | 0.7372 | NPC238309 |
Intermediate Similarity | 0.736 | NPC234639 |
Intermediate Similarity | 0.7357 | NPC19890 |
Intermediate Similarity | 0.7357 | NPC27394 |
Intermediate Similarity | 0.7357 | NPC110958 |
Intermediate Similarity | 0.7355 | NPC300166 |
Intermediate Similarity | 0.7353 | NPC298884 |
Intermediate Similarity | 0.7348 | NPC212559 |
Intermediate Similarity | 0.7343 | NPC76312 |
Intermediate Similarity | 0.7339 | NPC35543 |
Intermediate Similarity | 0.7339 | NPC258171 |
Intermediate Similarity | 0.7333 | NPC280767 |
Intermediate Similarity | 0.7333 | NPC289459 |
Intermediate Similarity | 0.7333 | NPC249836 |
Intermediate Similarity | 0.7329 | NPC290038 |
Intermediate Similarity | 0.7328 | NPC471449 |
Intermediate Similarity | 0.7328 | NPC37858 |
Intermediate Similarity | 0.7324 | NPC281780 |
Intermediate Similarity | 0.7324 | NPC471542 |
Intermediate Similarity | 0.7323 | NPC474920 |
Intermediate Similarity | 0.7323 | NPC26615 |
Intermediate Similarity | 0.7319 | NPC2989 |
Intermediate Similarity | 0.7319 | NPC475880 |
Intermediate Similarity | 0.7317 | NPC139891 |
Intermediate Similarity | 0.7317 | NPC470393 |
Intermediate Similarity | 0.7308 | NPC185738 |
Intermediate Similarity | 0.7305 | NPC475011 |
Intermediate Similarity | 0.7305 | NPC44245 |
Intermediate Similarity | 0.7305 | NPC72796 |
Intermediate Similarity | 0.7302 | NPC475852 |
Intermediate Similarity | 0.7302 | NPC2682 |
Intermediate Similarity | 0.7299 | NPC474623 |
Intermediate Similarity | 0.7299 | NPC474651 |
Intermediate Similarity | 0.7299 | NPC226661 |
Intermediate Similarity | 0.7295 | NPC192596 |
Intermediate Similarity | 0.7295 | NPC298224 |
Intermediate Similarity | 0.7295 | NPC24327 |
Intermediate Similarity | 0.7295 | NPC12870 |
Intermediate Similarity | 0.7293 | NPC312713 |
Intermediate Similarity | 0.7293 | NPC126935 |
Intermediate Similarity | 0.7293 | NPC65933 |
Intermediate Similarity | 0.7293 | NPC216929 |
Intermediate Similarity | 0.7293 | NPC172676 |
Intermediate Similarity | 0.7293 | NPC57268 |
Intermediate Similarity | 0.7292 | NPC155552 |
Intermediate Similarity | 0.7292 | NPC100675 |
Intermediate Similarity | 0.7292 | NPC472523 |
Intermediate Similarity | 0.7288 | NPC471581 |
Intermediate Similarity | 0.7287 | NPC296526 |
Intermediate Similarity | 0.7287 | NPC47194 |
Intermediate Similarity | 0.7287 | NPC475815 |
Intermediate Similarity | 0.7287 | NPC473264 |
Intermediate Similarity | 0.7287 | NPC283169 |
Intermediate Similarity | 0.7287 | NPC301321 |
Intermediate Similarity | 0.728 | NPC201959 |
Intermediate Similarity | 0.728 | NPC75440 |
Intermediate Similarity | 0.728 | NPC245115 |
Intermediate Similarity | 0.7279 | NPC474476 |
Intermediate Similarity | 0.7279 | NPC101894 |
Intermediate Similarity | 0.7279 | NPC213552 |
Intermediate Similarity | 0.7279 | NPC120225 |
Intermediate Similarity | 0.7273 | NPC14177 |
Intermediate Similarity | 0.7273 | NPC202260 |
Intermediate Similarity | 0.7259 | NPC470163 |
Intermediate Similarity | 0.7259 | NPC248557 |
Intermediate Similarity | 0.7259 | NPC78446 |
Intermediate Similarity | 0.7259 | NPC470162 |
Intermediate Similarity | 0.7259 | NPC221798 |
Intermediate Similarity | 0.7259 | NPC246704 |
Intermediate Similarity | 0.7258 | NPC30416 |
Intermediate Similarity | 0.7254 | NPC90431 |
Intermediate Similarity | 0.7254 | NPC474610 |
Intermediate Similarity | 0.7252 | NPC474040 |
Intermediate Similarity | 0.7252 | NPC205502 |
Intermediate Similarity | 0.7248 | NPC95526 |
Intermediate Similarity | 0.7246 | NPC206028 |
Intermediate Similarity | 0.7244 | NPC275627 |
Intermediate Similarity | 0.7244 | NPC54626 |
Intermediate Similarity | 0.7241 | NPC46180 |
Intermediate Similarity | 0.7239 | NPC302211 |
Intermediate Similarity | 0.7239 | NPC16922 |
Intermediate Similarity | 0.7236 | NPC12987 |
Intermediate Similarity | 0.7236 | NPC474603 |
Intermediate Similarity | 0.7236 | NPC108875 |
TTD   | DAP001235 |
DrugBank   | DB04930 |
ChEMBL   | CHEMBL1525 |
IUPHAR/BPS   | |
PharmaGKB   | PA164743137 |
KEGG Drug   | D05443 |
PubChem CID   | 40326 |
ChEBI   | 34911 |
CAS Number   | 52645-53-1 |
Molecular Weight   | 390.08 |
ALogP   | 1.8533 |
MLogP   | 3.22 |
XLogP   | 7.313 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 11 |
TPSA   | 35.53 |
RO5 Violation   | 1 |