Drug ID:   | NPD2237 |
Drug Name:   | Moxisylyte |
Molecular Formula:   | C16H25NO3 |
Canonical SMILES:   | CN(CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C |
Standard InCHI:   | InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3 |
Standard InCHIKey:   | VRYMTAVOXVTQEF-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 | 0.8512 | NPC280760 |
Intermediate Similarity | 0.8492 | NPC322569 |
Intermediate Similarity | 0.8333 | NPC98748 |
Intermediate Similarity | 0.8217 | NPC473464 |
Intermediate Similarity | 0.8217 | NPC476332 |
Intermediate Similarity | 0.8168 | NPC170749 |
Intermediate Similarity | 0.8167 | NPC30416 |
Intermediate Similarity | 0.797 | NPC128321 |
Intermediate Similarity | 0.797 | NPC329272 |
Intermediate Similarity | 0.7937 | NPC87563 |
Intermediate Similarity | 0.7891 | NPC238075 |
Intermediate Similarity | 0.7852 | NPC176590 |
Intermediate Similarity | 0.7852 | NPC81261 |
Intermediate Similarity | 0.7769 | NPC24327 |
Intermediate Similarity | 0.7769 | NPC12870 |
Intermediate Similarity | 0.7737 | NPC249425 |
Intermediate Similarity | 0.771 | NPC14177 |
Intermediate Similarity | 0.7687 | NPC474237 |
Intermediate Similarity | 0.7681 | NPC474200 |
Intermediate Similarity | 0.7669 | NPC302211 |
Intermediate Similarity | 0.7652 | NPC212559 |
Intermediate Similarity | 0.7652 | NPC96423 |
Intermediate Similarity | 0.7647 | NPC156298 |
Intermediate Similarity | 0.7642 | NPC473855 |
Intermediate Similarity | 0.7638 | NPC26615 |
Intermediate Similarity | 0.7634 | NPC51341 |
Intermediate Similarity | 0.7634 | NPC471449 |
Intermediate Similarity | 0.7634 | NPC234956 |
Intermediate Similarity | 0.7597 | NPC283169 |
Intermediate Similarity | 0.7594 | NPC168707 |
Intermediate Similarity | 0.7594 | NPC48623 |
Intermediate Similarity | 0.7594 | NPC475839 |
Intermediate Similarity | 0.7578 | NPC190212 |
Intermediate Similarity | 0.7576 | NPC471504 |
Intermediate Similarity | 0.7576 | NPC474131 |
Intermediate Similarity | 0.7576 | NPC473290 |
Intermediate Similarity | 0.7537 | NPC188997 |
Intermediate Similarity | 0.7519 | NPC45663 |
Intermediate Similarity | 0.7518 | NPC474670 |
Intermediate Similarity | 0.75 | NPC32152 |
Intermediate Similarity | 0.7481 | NPC248786 |
Intermediate Similarity | 0.7481 | NPC471498 |
Intermediate Similarity | 0.7481 | NPC470887 |
Intermediate Similarity | 0.7481 | NPC187993 |
Intermediate Similarity | 0.7481 | NPC261992 |
Intermediate Similarity | 0.7481 | NPC255253 |
Intermediate Similarity | 0.7481 | NPC471503 |
Intermediate Similarity | 0.7481 | NPC238176 |
Intermediate Similarity | 0.748 | NPC95977 |
Intermediate Similarity | 0.7464 | NPC474636 |
Intermediate Similarity | 0.7445 | NPC101894 |
Intermediate Similarity | 0.7445 | NPC474632 |
Intermediate Similarity | 0.7444 | NPC328485 |
Intermediate Similarity | 0.7444 | NPC232295 |
Intermediate Similarity | 0.7442 | NPC303522 |
Intermediate Similarity | 0.7438 | NPC313918 |
Intermediate Similarity | 0.7426 | NPC276962 |
Intermediate Similarity | 0.7426 | NPC190086 |
Intermediate Similarity | 0.7426 | NPC147896 |
Intermediate Similarity | 0.7424 | NPC159916 |
Intermediate Similarity | 0.7424 | NPC283616 |
Intermediate Similarity | 0.7422 | NPC470723 |
Intermediate Similarity | 0.7422 | NPC275627 |
Intermediate Similarity | 0.7419 | NPC283546 |
Intermediate Similarity | 0.7405 | NPC69539 |
Intermediate Similarity | 0.7405 | NPC163398 |
Intermediate Similarity | 0.7402 | NPC149545 |
Intermediate Similarity | 0.7398 | NPC307425 |
Intermediate Similarity | 0.7391 | NPC474821 |
Intermediate Similarity | 0.7388 | NPC267064 |
Intermediate Similarity | 0.7385 | NPC41851 |
Intermediate Similarity | 0.7381 | NPC151530 |
Intermediate Similarity | 0.7381 | NPC233320 |
Intermediate Similarity | 0.7381 | NPC157473 |
Intermediate Similarity | 0.7376 | NPC319969 |
Intermediate Similarity | 0.7372 | NPC279118 |
Intermediate Similarity | 0.7364 | NPC474920 |
Intermediate Similarity | 0.7364 | NPC98372 |
Intermediate Similarity | 0.736 | NPC473393 |
Intermediate Similarity | 0.7357 | NPC474617 |
Intermediate Similarity | 0.7357 | NPC325003 |
Intermediate Similarity | 0.7353 | NPC320287 |
Intermediate Similarity | 0.7344 | NPC88868 |
Intermediate Similarity | 0.7344 | NPC473809 |
Intermediate Similarity | 0.7344 | NPC231251 |
Intermediate Similarity | 0.7344 | NPC25067 |
Intermediate Similarity | 0.7343 | NPC252095 |
Intermediate Similarity | 0.7343 | NPC475011 |
Intermediate Similarity | 0.7338 | NPC283079 |
Intermediate Similarity | 0.7333 | NPC476165 |
Intermediate Similarity | 0.7328 | NPC473718 |
Intermediate Similarity | 0.7323 | NPC291837 |
Intermediate Similarity | 0.7317 | NPC107101 |
Intermediate Similarity | 0.7313 | NPC321133 |
Intermediate Similarity | 0.731 | NPC265335 |
Intermediate Similarity | 0.7305 | NPC258073 |
Intermediate Similarity | 0.7302 | NPC326801 |
Intermediate Similarity | 0.7302 | NPC326447 |
Intermediate Similarity | 0.7302 | NPC176971 |
Intermediate Similarity | 0.7299 | NPC61685 |
Intermediate Similarity | 0.7299 | NPC248557 |
Intermediate Similarity | 0.7295 | NPC470161 |
Intermediate Similarity | 0.7293 | NPC139047 |
Intermediate Similarity | 0.7293 | NPC206205 |
Intermediate Similarity | 0.7292 | NPC318591 |
Intermediate Similarity | 0.7292 | NPC115861 |
Intermediate Similarity | 0.7292 | NPC265515 |
Intermediate Similarity | 0.7292 | NPC231163 |
Intermediate Similarity | 0.7287 | NPC245552 |
Intermediate Similarity | 0.7279 | NPC469564 |
Intermediate Similarity | 0.7279 | NPC204535 |
Intermediate Similarity | 0.7279 | NPC46586 |
Intermediate Similarity | 0.7279 | NPC325301 |
Intermediate Similarity | 0.7273 | NPC211164 |
Intermediate Similarity | 0.7273 | NPC27394 |
Intermediate Similarity | 0.7266 | NPC95034 |
Intermediate Similarity | 0.7266 | NPC142087 |
Intermediate Similarity | 0.726 | NPC476191 |
Intermediate Similarity | 0.7259 | NPC129176 |
Intermediate Similarity | 0.7254 | NPC474635 |
Intermediate Similarity | 0.7254 | NPC329427 |
Intermediate Similarity | 0.7254 | NPC317601 |
Intermediate Similarity | 0.7246 | NPC136112 |
Intermediate Similarity | 0.7246 | NPC141739 |
Intermediate Similarity | 0.7246 | NPC252962 |
Intermediate Similarity | 0.7241 | NPC476171 |
Intermediate Similarity | 0.7241 | NPC474540 |
Intermediate Similarity | 0.7241 | NPC474530 |
Intermediate Similarity | 0.7241 | NPC474521 |
Intermediate Similarity | 0.7239 | NPC160235 |
Intermediate Similarity | 0.7234 | NPC475880 |
Intermediate Similarity | 0.7234 | NPC11089 |
Intermediate Similarity | 0.7231 | NPC228452 |
Intermediate Similarity | 0.7226 | NPC474130 |
Intermediate Similarity | 0.7226 | NPC279379 |
Intermediate Similarity | 0.7222 | NPC128730 |
Intermediate Similarity | 0.7222 | NPC281169 |
Intermediate Similarity | 0.7222 | NPC291119 |
Intermediate Similarity | 0.7222 | NPC139891 |
Intermediate Similarity | 0.7214 | NPC211179 |
Intermediate Similarity | 0.7214 | NPC474616 |
Intermediate Similarity | 0.7214 | NPC38604 |
Intermediate Similarity | 0.7211 | NPC472523 |
Intermediate Similarity | 0.7203 | NPC233018 |
Intermediate Similarity | 0.7203 | NPC36437 |
Intermediate Similarity | 0.7203 | NPC241341 |
Intermediate Similarity | 0.72 | NPC475872 |
Intermediate Similarity | 0.7192 | NPC476025 |
Intermediate Similarity | 0.7192 | NPC475028 |
Intermediate Similarity | 0.7188 | NPC241549 |
Intermediate Similarity | 0.7185 | NPC31314 |
Intermediate Similarity | 0.7185 | NPC193193 |
Intermediate Similarity | 0.7183 | NPC474143 |
Intermediate Similarity | 0.7183 | NPC153019 |
Intermediate Similarity | 0.7183 | NPC474246 |
Intermediate Similarity | 0.7183 | NPC142530 |
Intermediate Similarity | 0.7183 | NPC470392 |
Intermediate Similarity | 0.7183 | NPC147317 |
Intermediate Similarity | 0.7181 | NPC474599 |
Intermediate Similarity | 0.7172 | NPC286843 |
Intermediate Similarity | 0.7164 | NPC293424 |
Intermediate Similarity | 0.7163 | NPC472796 |
Intermediate Similarity | 0.7163 | NPC271832 |
Intermediate Similarity | 0.7163 | NPC472797 |
Intermediate Similarity | 0.7163 | NPC59654 |
Intermediate Similarity | 0.7163 | NPC472795 |
Intermediate Similarity | 0.7163 | NPC206028 |
Intermediate Similarity | 0.7154 | NPC233238 |
Intermediate Similarity | 0.7154 | NPC95755 |
Intermediate Similarity | 0.7153 | NPC474600 |
Intermediate Similarity | 0.7153 | NPC327070 |
Intermediate Similarity | 0.7153 | NPC265793 |
Intermediate Similarity | 0.7143 | NPC126759 |
Intermediate Similarity | 0.7143 | NPC290470 |
Intermediate Similarity | 0.7143 | NPC66331 |
Intermediate Similarity | 0.7143 | NPC79372 |
Intermediate Similarity | 0.7143 | NPC154256 |
Intermediate Similarity | 0.7143 | NPC236070 |
Intermediate Similarity | 0.7143 | NPC257947 |
Intermediate Similarity | 0.7143 | NPC33717 |
Intermediate Similarity | 0.7143 | NPC242580 |
Intermediate Similarity | 0.7143 | NPC312105 |
Intermediate Similarity | 0.7133 | NPC51262 |
Intermediate Similarity | 0.7133 | NPC27578 |
Intermediate Similarity | 0.7133 | NPC137669 |
Intermediate Similarity | 0.7133 | NPC289624 |
Intermediate Similarity | 0.7132 | NPC473875 |
Intermediate Similarity | 0.7132 | NPC259554 |
Intermediate Similarity | 0.7132 | NPC235190 |
Intermediate Similarity | 0.7132 | NPC475529 |
Intermediate Similarity | 0.7132 | NPC180006 |
Intermediate Similarity | 0.7123 | NPC105493 |
Intermediate Similarity | 0.7123 | NPC471542 |
Intermediate Similarity | 0.7122 | NPC477213 |
Intermediate Similarity | 0.7122 | NPC131397 |
Intermediate Similarity | 0.7122 | NPC124776 |
Intermediate Similarity | 0.7122 | NPC476254 |
Intermediate Similarity | 0.7122 | NPC471827 |
Intermediate Similarity | 0.7122 | NPC471828 |
Intermediate Similarity | 0.7122 | NPC320847 |
TTD   | DIB002916 |
DrugBank   | DB09205 |
ChEMBL   | CHEMBL159226 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D08239 |
PubChem CID   | |
ChEBI   | 94754 |
CAS Number   | 54-32-0 |
Molecular Weight   | 279.18 |
ALogP   | 1.2206 |
MLogP   | 2.78 |
XLogP   | 3.283 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 13 |
TPSA   | 38.77 |
RO5 Violation   | 0 |