Drug ID:   | NPD6430 |
Drug Name:   | Acarbose |
Molecular Formula:   | C25H43NO18 |
Canonical SMILES:   | OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O |
Standard InCHI:   | InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1 |
Standard InCHIKey:   | XUFXOAAUWZOOIT-JMPDRRIHSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | NPC314306 |
Intermediate Similarity | 0.8302 | NPC315170 |
Intermediate Similarity | 0.822 | NPC20035 |
Intermediate Similarity | 0.7462 | NPC297058 |
Intermediate Similarity | 0.7217 | NPC55336 |
Intermediate Similarity | 0.7115 | NPC36927 |
Intermediate Similarity | 0.7115 | NPC271772 |
Intermediate Similarity | 0.7107 | NPC241597 |
Intermediate Similarity | 0.7087 | NPC314762 |
Intermediate Similarity | 0.7087 | NPC296686 |
Intermediate Similarity | 0.7034 | NPC315426 |
Intermediate Similarity | 0.7034 | NPC313272 |
Intermediate Similarity | 0.7034 | NPC319537 |
Remote Similarity | 0.6964 | NPC70323 |
Remote Similarity | 0.6964 | NPC192066 |
Remote Similarity | 0.6964 | NPC23454 |
Remote Similarity | 0.6964 | NPC256570 |
Remote Similarity | 0.6964 | NPC17290 |
Remote Similarity | 0.6964 | NPC262312 |
Remote Similarity | 0.6964 | NPC3568 |
Remote Similarity | 0.6964 | NPC35269 |
Remote Similarity | 0.6944 | NPC306838 |
Remote Similarity | 0.6929 | NPC478138 |
Remote Similarity | 0.6923 | NPC70574 |
Remote Similarity | 0.6917 | NPC150057 |
Remote Similarity | 0.6917 | NPC147753 |
Remote Similarity | 0.6894 | NPC15249 |
Remote Similarity | 0.6894 | NPC25455 |
Remote Similarity | 0.6857 | NPC471420 |
Remote Similarity | 0.6847 | NPC139782 |
Remote Similarity | 0.6847 | NPC209047 |
Remote Similarity | 0.6847 | NPC74672 |
Remote Similarity | 0.6847 | NPC43074 |
Remote Similarity | 0.6847 | NPC242503 |
Remote Similarity | 0.6842 | NPC45313 |
Remote Similarity | 0.6842 | NPC122819 |
Remote Similarity | 0.6842 | NPC197294 |
Remote Similarity | 0.6842 | NPC8098 |
Remote Similarity | 0.6842 | NPC183449 |
Remote Similarity | 0.6827 | NPC98750 |
Remote Similarity | 0.681 | NPC315036 |
Remote Similarity | 0.6786 | NPC186840 |
Remote Similarity | 0.6786 | NPC15851 |
Remote Similarity | 0.6786 | NPC475125 |
Remote Similarity | 0.6786 | NPC473604 |
Remote Similarity | 0.6786 | NPC282705 |
Remote Similarity | 0.6786 | NPC182632 |
Remote Similarity | 0.6786 | NPC473581 |
Remote Similarity | 0.6786 | NPC111567 |
Remote Similarity | 0.6786 | NPC475603 |
Remote Similarity | 0.6786 | NPC309898 |
Remote Similarity | 0.6786 | NPC263545 |
Remote Similarity | 0.6786 | NPC473950 |
Remote Similarity | 0.6786 | NPC61894 |
Remote Similarity | 0.6715 | NPC287885 |
Remote Similarity | 0.6667 | NPC158445 |
Remote Similarity | 0.6667 | NPC156782 |
Remote Similarity | 0.6667 | NPC150557 |
Remote Similarity | 0.6667 | NPC469943 |
Remote Similarity | 0.6667 | NPC282088 |
Remote Similarity | 0.6667 | NPC54961 |
Remote Similarity | 0.6667 | NPC157353 |
Remote Similarity | 0.6604 | NPC318258 |
Remote Similarity | 0.6574 | NPC165119 |
Remote Similarity | 0.6562 | NPC67917 |
Remote Similarity | 0.6562 | NPC477515 |
Remote Similarity | 0.6562 | NPC314268 |
Remote Similarity | 0.6562 | NPC313802 |
Remote Similarity | 0.6555 | NPC477198 |
Remote Similarity | 0.6525 | NPC255175 |
Remote Similarity | 0.6525 | NPC56298 |
Remote Similarity | 0.6525 | NPC225978 |
Remote Similarity | 0.6525 | NPC64348 |
Remote Similarity | 0.6525 | NPC471628 |
Remote Similarity | 0.6525 | NPC271207 |
Remote Similarity | 0.6525 | NPC206711 |
Remote Similarity | 0.6515 | NPC94881 |
Remote Similarity | 0.6515 | NPC471263 |
Remote Similarity | 0.6515 | NPC265275 |
Remote Similarity | 0.6515 | NPC48886 |
Remote Similarity | 0.6496 | NPC280941 |
Remote Similarity | 0.6496 | NPC475646 |
Remote Similarity | 0.6496 | NPC235772 |
Remote Similarity | 0.6449 | NPC100204 |
Remote Similarity | 0.6449 | NPC83248 |
Remote Similarity | 0.6439 | NPC314512 |
Remote Similarity | 0.6439 | NPC314451 |
Remote Similarity | 0.6439 | NPC313333 |
Remote Similarity | 0.6439 | NPC313342 |
Remote Similarity | 0.6434 | NPC214821 |
Remote Similarity | 0.6434 | NPC298067 |
Remote Similarity | 0.6429 | NPC470282 |
Remote Similarity | 0.641 | NPC475503 |
Remote Similarity | 0.64 | NPC29501 |
Remote Similarity | 0.6393 | NPC201128 |
Remote Similarity | 0.6393 | NPC475918 |
Remote Similarity | 0.637 | NPC298005 |
Remote Similarity | 0.637 | NPC316205 |
Remote Similarity | 0.637 | NPC315387 |
Remote Similarity | 0.637 | NPC36463 |
Remote Similarity | 0.6357 | NPC200788 |
Remote Similarity | 0.6357 | NPC243680 |
Remote Similarity | 0.6356 | NPC240372 |
Remote Similarity | 0.635 | NPC119794 |
Remote Similarity | 0.635 | NPC73829 |
Remote Similarity | 0.6345 | NPC244380 |
Remote Similarity | 0.6345 | NPC61717 |
Remote Similarity | 0.6343 | NPC314282 |
Remote Similarity | 0.6328 | NPC304646 |
Remote Similarity | 0.6328 | NPC28280 |
Remote Similarity | 0.6312 | NPC302276 |
Remote Similarity | 0.6312 | NPC180770 |
Remote Similarity | 0.6311 | NPC470768 |
Remote Similarity | 0.6288 | NPC471262 |
Remote Similarity | 0.6283 | NPC125142 |
Remote Similarity | 0.6279 | NPC6531 |
Remote Similarity | 0.6277 | NPC475472 |
Remote Similarity | 0.6271 | NPC189629 |
Remote Similarity | 0.6268 | NPC172365 |
Remote Similarity | 0.6268 | NPC210729 |
Remote Similarity | 0.6268 | NPC82931 |
Remote Similarity | 0.6259 | NPC75318 |
Remote Similarity | 0.625 | NPC73166 |
Remote Similarity | 0.625 | NPC141669 |
Remote Similarity | 0.6241 | NPC315783 |
Remote Similarity | 0.6239 | NPC72817 |
Remote Similarity | 0.6239 | NPC477927 |
Remote Similarity | 0.623 | NPC162354 |
Remote Similarity | 0.6228 | NPC248312 |
Remote Similarity | 0.6224 | NPC162910 |
Remote Similarity | 0.6214 | NPC145899 |
Remote Similarity | 0.621 | NPC281939 |
Remote Similarity | 0.6204 | NPC201359 |
Remote Similarity | 0.6202 | NPC313813 |
Remote Similarity | 0.6202 | NPC30196 |
Remote Similarity | 0.6187 | NPC76999 |
Remote Similarity | 0.6181 | NPC475584 |
Remote Similarity | 0.6181 | NPC475394 |
Remote Similarity | 0.6181 | NPC475152 |
Remote Similarity | 0.6179 | NPC75608 |
Remote Similarity | 0.6159 | NPC316401 |
Remote Similarity | 0.6154 | NPC315334 |
Remote Similarity | 0.6148 | NPC256133 |
Remote Similarity | 0.6148 | NPC76497 |
Remote Similarity | 0.6148 | NPC30289 |
Remote Similarity | 0.6148 | NPC213674 |
Remote Similarity | 0.6138 | NPC475892 |
Remote Similarity | 0.6138 | NPC298469 |
Remote Similarity | 0.6138 | NPC193579 |
Remote Similarity | 0.6134 | NPC90583 |
Remote Similarity | 0.6133 | NPC475527 |
Remote Similarity | 0.6131 | NPC313962 |
Remote Similarity | 0.6129 | NPC470763 |
Remote Similarity | 0.6129 | NPC470767 |
Remote Similarity | 0.6126 | NPC20072 |
Remote Similarity | 0.6119 | NPC314629 |
Remote Similarity | 0.6098 | NPC123796 |
Remote Similarity | 0.6094 | NPC261750 |
Remote Similarity | 0.6094 | NPC1111 |
Remote Similarity | 0.6093 | NPC475599 |
Remote Similarity | 0.6093 | NPC100612 |
Remote Similarity | 0.6093 | NPC174336 |
Remote Similarity | 0.6093 | NPC113620 |
Remote Similarity | 0.6093 | NPC187497 |
Remote Similarity | 0.6091 | NPC163362 |
Remote Similarity | 0.6091 | NPC127295 |
Remote Similarity | 0.608 | NPC190395 |
Remote Similarity | 0.608 | NPC257964 |
Remote Similarity | 0.608 | NPC78034 |
Remote Similarity | 0.6077 | NPC146652 |
Remote Similarity | 0.6075 | NPC3094 |
Remote Similarity | 0.6071 | NPC477072 |
Remote Similarity | 0.6071 | NPC120420 |
Remote Similarity | 0.6069 | NPC475266 |
Remote Similarity | 0.6069 | NPC247776 |
Remote Similarity | 0.6069 | NPC475278 |
Remote Similarity | 0.6069 | NPC304299 |
Remote Similarity | 0.6069 | NPC309450 |
Remote Similarity | 0.6066 | NPC263756 |
Remote Similarity | 0.6066 | NPC117714 |
Remote Similarity | 0.605 | NPC119225 |
Remote Similarity | 0.605 | NPC471635 |
Remote Similarity | 0.605 | NPC25033 |
Remote Similarity | 0.605 | NPC470382 |
Remote Similarity | 0.605 | NPC476261 |
Remote Similarity | 0.6048 | NPC148603 |
Remote Similarity | 0.6048 | NPC110656 |
Remote Similarity | 0.6048 | NPC473734 |
Remote Similarity | 0.6048 | NPC203354 |
Remote Similarity | 0.6048 | NPC230948 |
Remote Similarity | 0.6048 | NPC473127 |
Remote Similarity | 0.6048 | NPC471434 |
Remote Similarity | 0.6048 | NPC471435 |
Remote Similarity | 0.6047 | NPC307642 |
Remote Similarity | 0.6038 | NPC55652 |
Remote Similarity | 0.6038 | NPC132938 |
Remote Similarity | 0.6033 | NPC477928 |
Remote Similarity | 0.6032 | NPC475150 |
Remote Similarity | 0.6032 | NPC126147 |
Remote Similarity | 0.6028 | NPC99864 |
Molecular Weight   | 645.25 |
ALogP   | -7.2263 |
MLogP   | 2.12 |
XLogP   | -5.53 |
HDA   | 19 |
HBD   | 14 |
Rotatable Bonds   | 23 |
TPSA   | 321.17 |
RO5 Violation   | 2 |