Drug ID:   | NPD4107 |
Drug Name:   | Acetyldihydrocodeine |
Molecular Formula:   | C20H25NO4 |
Canonical SMILES:   | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1OC(=O)C)C |
Standard InCHI:   | InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1 |
Standard InCHIKey:   | LGGDXXJAGWBUSL-BKRJIHRRSA-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 | 0.9832 | NPC311781 |
High Similarity | 0.9663 | NPC174783 |
High Similarity | 0.9454 | NPC67346 |
High Similarity | 0.9348 | NPC43069 |
High Similarity | 0.9348 | NPC140577 |
High Similarity | 0.9243 | NPC97086 |
High Similarity | 0.9162 | NPC214629 |
High Similarity | 0.914 | NPC232533 |
High Similarity | 0.9048 | NPC157958 |
High Similarity | 0.9037 | NPC243483 |
High Similarity | 0.8889 | NPC115906 |
High Similarity | 0.8796 | NPC126211 |
Intermediate Similarity | 0.8415 | NPC35680 |
Intermediate Similarity | 0.8377 | NPC66909 |
Intermediate Similarity | 0.828 | NPC298339 |
Intermediate Similarity | 0.8112 | NPC254045 |
Intermediate Similarity | 0.8112 | NPC64576 |
Intermediate Similarity | 0.8112 | NPC151470 |
Intermediate Similarity | 0.8112 | NPC201055 |
Intermediate Similarity | 0.8111 | NPC475780 |
Intermediate Similarity | 0.8105 | NPC162694 |
Intermediate Similarity | 0.8063 | NPC141440 |
Intermediate Similarity | 0.8054 | NPC227683 |
Intermediate Similarity | 0.7979 | NPC196231 |
Intermediate Similarity | 0.795 | NPC476500 |
Intermediate Similarity | 0.7949 | NPC33256 |
Intermediate Similarity | 0.7944 | NPC323443 |
Intermediate Similarity | 0.7944 | NPC180756 |
Intermediate Similarity | 0.7889 | NPC244191 |
Intermediate Similarity | 0.7817 | NPC279665 |
Intermediate Similarity | 0.7755 | NPC94499 |
Intermediate Similarity | 0.7722 | NPC8337 |
Intermediate Similarity | 0.7722 | NPC85747 |
Intermediate Similarity | 0.7708 | NPC305847 |
Intermediate Similarity | 0.7701 | NPC284842 |
Intermediate Similarity | 0.77 | NPC474427 |
Intermediate Similarity | 0.7688 | NPC293624 |
Intermediate Similarity | 0.7685 | NPC80472 |
Intermediate Similarity | 0.7668 | NPC302449 |
Intermediate Similarity | 0.7656 | NPC149285 |
Intermediate Similarity | 0.7656 | NPC27887 |
Intermediate Similarity | 0.7647 | NPC124657 |
Intermediate Similarity | 0.7638 | NPC474432 |
Intermediate Similarity | 0.7638 | NPC475713 |
Intermediate Similarity | 0.7614 | NPC63152 |
Intermediate Similarity | 0.76 | NPC73020 |
Intermediate Similarity | 0.76 | NPC215098 |
Intermediate Similarity | 0.76 | NPC70290 |
Intermediate Similarity | 0.76 | NPC124302 |
Intermediate Similarity | 0.76 | NPC46744 |
Intermediate Similarity | 0.76 | NPC14622 |
Intermediate Similarity | 0.7594 | NPC3375 |
Intermediate Similarity | 0.7594 | NPC255607 |
Intermediate Similarity | 0.7561 | NPC326895 |
Intermediate Similarity | 0.754 | NPC476569 |
Intermediate Similarity | 0.7537 | NPC286135 |
Intermediate Similarity | 0.7526 | NPC298071 |
Intermediate Similarity | 0.7526 | NPC474708 |
Intermediate Similarity | 0.7525 | NPC314100 |
Intermediate Similarity | 0.7525 | NPC120671 |
Intermediate Similarity | 0.7525 | NPC226652 |
Intermediate Similarity | 0.7525 | NPC72788 |
Intermediate Similarity | 0.7524 | NPC476495 |
Intermediate Similarity | 0.7524 | NPC106840 |
Intermediate Similarity | 0.7524 | NPC94687 |
Intermediate Similarity | 0.7512 | NPC83019 |
Intermediate Similarity | 0.75 | NPC477258 |
Intermediate Similarity | 0.7488 | NPC46990 |
Intermediate Similarity | 0.7474 | NPC220961 |
Intermediate Similarity | 0.7474 | NPC475845 |
Intermediate Similarity | 0.7463 | NPC204580 |
Intermediate Similarity | 0.7461 | NPC241704 |
Intermediate Similarity | 0.7459 | NPC133817 |
Intermediate Similarity | 0.7459 | NPC476443 |
Intermediate Similarity | 0.7451 | NPC119818 |
Intermediate Similarity | 0.7451 | NPC2173 |
Intermediate Similarity | 0.7451 | NPC328700 |
Intermediate Similarity | 0.7451 | NPC202771 |
Intermediate Similarity | 0.7433 | NPC26353 |
Intermediate Similarity | 0.7433 | NPC226428 |
Intermediate Similarity | 0.7424 | NPC166979 |
Intermediate Similarity | 0.7424 | NPC237579 |
Intermediate Similarity | 0.7421 | NPC474324 |
Intermediate Similarity | 0.7421 | NPC132054 |
Intermediate Similarity | 0.7421 | NPC57812 |
Intermediate Similarity | 0.7407 | NPC35345 |
Intermediate Similarity | 0.7405 | NPC10429 |
Intermediate Similarity | 0.7404 | NPC476496 |
Intermediate Similarity | 0.7385 | NPC32154 |
Intermediate Similarity | 0.7382 | NPC279768 |
Intermediate Similarity | 0.7382 | NPC41689 |
Intermediate Similarity | 0.7374 | NPC230098 |
Intermediate Similarity | 0.7368 | NPC24264 |
Intermediate Similarity | 0.7368 | NPC476432 |
Intermediate Similarity | 0.7366 | NPC475747 |
Intermediate Similarity | 0.7363 | NPC71821 |
Intermediate Similarity | 0.7337 | NPC476579 |
Intermediate Similarity | 0.733 | NPC247389 |
Intermediate Similarity | 0.733 | NPC207971 |
Intermediate Similarity | 0.7327 | NPC470646 |
Intermediate Similarity | 0.7326 | NPC476572 |
Intermediate Similarity | 0.7316 | NPC16805 |
Intermediate Similarity | 0.7316 | NPC302527 |
Intermediate Similarity | 0.7316 | NPC225774 |
Intermediate Similarity | 0.7316 | NPC167546 |
Intermediate Similarity | 0.7312 | NPC325871 |
Intermediate Similarity | 0.7312 | NPC99659 |
Intermediate Similarity | 0.7306 | NPC67978 |
Intermediate Similarity | 0.7306 | NPC303581 |
Intermediate Similarity | 0.7302 | NPC153631 |
Intermediate Similarity | 0.7296 | NPC474745 |
Intermediate Similarity | 0.7287 | NPC106786 |
Intermediate Similarity | 0.7287 | NPC118804 |
Intermediate Similarity | 0.7286 | NPC169387 |
Intermediate Similarity | 0.7286 | NPC477259 |
Intermediate Similarity | 0.7282 | NPC222524 |
Intermediate Similarity | 0.7277 | NPC219341 |
Intermediate Similarity | 0.7277 | NPC38964 |
Intermediate Similarity | 0.7268 | NPC329992 |
Intermediate Similarity | 0.7264 | NPC226708 |
Intermediate Similarity | 0.7263 | NPC59567 |
Intermediate Similarity | 0.7256 | NPC256422 |
Intermediate Similarity | 0.725 | NPC208890 |
Intermediate Similarity | 0.7245 | NPC474325 |
Intermediate Similarity | 0.7243 | NPC475180 |
Intermediate Similarity | 0.7243 | NPC474305 |
Intermediate Similarity | 0.724 | NPC210918 |
Intermediate Similarity | 0.724 | NPC308156 |
Intermediate Similarity | 0.7238 | NPC27220 |
Intermediate Similarity | 0.7231 | NPC304675 |
Intermediate Similarity | 0.7231 | NPC308267 |
Intermediate Similarity | 0.723 | NPC473746 |
Intermediate Similarity | 0.7225 | NPC216092 |
Intermediate Similarity | 0.722 | NPC476220 |
Intermediate Similarity | 0.722 | NPC160113 |
Intermediate Similarity | 0.7216 | NPC302392 |
Intermediate Similarity | 0.7212 | NPC268077 |
Intermediate Similarity | 0.7211 | NPC472299 |
Intermediate Similarity | 0.7211 | NPC68619 |
Intermediate Similarity | 0.7209 | NPC82056 |
Intermediate Similarity | 0.7202 | NPC473766 |
Intermediate Similarity | 0.7202 | NPC473753 |
Intermediate Similarity | 0.7196 | NPC7059 |
Intermediate Similarity | 0.7194 | NPC237044 |
Intermediate Similarity | 0.7194 | NPC474470 |
Intermediate Similarity | 0.7189 | NPC474306 |
Intermediate Similarity | 0.7189 | NPC472839 |
Intermediate Similarity | 0.7189 | NPC475848 |
Intermediate Similarity | 0.7188 | NPC154922 |
Intermediate Similarity | 0.7188 | NPC474858 |
Intermediate Similarity | 0.7186 | NPC475981 |
Intermediate Similarity | 0.7186 | NPC474746 |
Intermediate Similarity | 0.7173 | NPC139876 |
Intermediate Similarity | 0.7173 | NPC243509 |
Intermediate Similarity | 0.7173 | NPC471003 |
Intermediate Similarity | 0.7166 | NPC121615 |
Intermediate Similarity | 0.7166 | NPC294511 |
Intermediate Similarity | 0.7165 | NPC255787 |
Intermediate Similarity | 0.7165 | NPC291742 |
Intermediate Similarity | 0.7158 | NPC306902 |
Intermediate Similarity | 0.7158 | NPC477559 |
Intermediate Similarity | 0.7158 | NPC473368 |
Intermediate Similarity | 0.7158 | NPC123153 |
Intermediate Similarity | 0.7158 | NPC232924 |
Intermediate Similarity | 0.7158 | NPC160298 |
Intermediate Similarity | 0.7158 | NPC266753 |
Intermediate Similarity | 0.7157 | NPC294790 |
Intermediate Similarity | 0.7157 | NPC118633 |
Intermediate Similarity | 0.7157 | NPC148693 |
Intermediate Similarity | 0.7157 | NPC309692 |
Intermediate Similarity | 0.7151 | NPC81733 |
Intermediate Similarity | 0.7151 | NPC228842 |
Intermediate Similarity | 0.7151 | NPC326316 |
Intermediate Similarity | 0.715 | NPC475779 |
Intermediate Similarity | 0.715 | NPC55470 |
Intermediate Similarity | 0.715 | NPC18306 |
Intermediate Similarity | 0.7143 | NPC308943 |
Intermediate Similarity | 0.7143 | NPC329969 |
Intermediate Similarity | 0.7136 | NPC248642 |
Intermediate Similarity | 0.7135 | NPC476035 |
Intermediate Similarity | 0.7135 | NPC475039 |
Intermediate Similarity | 0.7135 | NPC14499 |
Intermediate Similarity | 0.7135 | NPC180306 |
Intermediate Similarity | 0.7135 | NPC470088 |
Intermediate Similarity | 0.7128 | NPC19520 |
Intermediate Similarity | 0.7128 | NPC149090 |
Intermediate Similarity | 0.7121 | NPC126284 |
Intermediate Similarity | 0.7121 | NPC99179 |
Intermediate Similarity | 0.712 | NPC15764 |
Intermediate Similarity | 0.712 | NPC33320 |
Intermediate Similarity | 0.712 | NPC8389 |
Intermediate Similarity | 0.7114 | NPC474009 |
Intermediate Similarity | 0.7113 | NPC86469 |
Intermediate Similarity | 0.7113 | NPC173149 |
Intermediate Similarity | 0.7113 | NPC179015 |
Intermediate Similarity | 0.7113 | NPC241055 |
Intermediate Similarity | 0.7112 | NPC470924 |
Intermediate Similarity | 0.7108 | NPC469816 |
Intermediate Similarity | 0.7108 | NPC469815 |
Intermediate Similarity | 0.71 | NPC475566 |
TTD   | |
DrugBank   | DB01538 |
ChEMBL   | CHEMBL3092041 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | 135453 |
CAS Number   | 3861-72-1 |
Molecular Weight   | 343.18 |
ALogP   | -0.5829 |
MLogP   | 3.11 |
XLogP   | 1.427 |
HDA   | 5 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 48 |
RO5 Violation   | 0 |