Drug ID:   | NPD6674 |
Drug Name:   | VM-301 |
Molecular Formula:   | C26H38O6 |
Canonical SMILES:   | COc1c(O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)c2[C@@H](C)CC[C@H]3c2c(c1C)[C@@H](C=C(C)C)C[C@@H]3C |
Standard InCHI:   | InChI=1S/C26H38O6/c1-12(2)9-16-10-14(4)17-8-7-13(3)19-21(17)20(16)15(5)24(30-6)25(19)32-26-23(29)22(28)18(27)11-31-26/h9,13-14,16-18,22-23,26-29H,7-8,10-11H2,1-6H3/t13-,14-,16-,17+,18+,22-,23+,26-/m0/s1 |
Standard InCHIKey:   | URDVEWJGRGQYQT-RSORJSBDSA-N |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
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 | 0.9779 | NPC133251 |
High Similarity | 0.95 | NPC474856 |
High Similarity | 0.95 | NPC117788 |
High Similarity | 0.95 | NPC291326 |
High Similarity | 0.95 | NPC474834 |
High Similarity | 0.95 | NPC290902 |
High Similarity | 0.9493 | NPC164183 |
High Similarity | 0.9433 | NPC475940 |
High Similarity | 0.9433 | NPC220006 |
High Similarity | 0.9433 | NPC181452 |
High Similarity | 0.9433 | NPC474893 |
High Similarity | 0.9366 | NPC183380 |
High Similarity | 0.9225 | NPC179809 |
High Similarity | 0.9225 | NPC303013 |
High Similarity | 0.9225 | NPC474795 |
High Similarity | 0.9225 | NPC474940 |
High Similarity | 0.9225 | NPC159697 |
High Similarity | 0.9225 | NPC130959 |
High Similarity | 0.9172 | NPC475227 |
High Similarity | 0.9172 | NPC200645 |
High Similarity | 0.9172 | NPC106669 |
High Similarity | 0.9028 | NPC44452 |
High Similarity | 0.8973 | NPC474442 |
High Similarity | 0.8944 | NPC471065 |
High Similarity | 0.8944 | NPC471667 |
High Similarity | 0.8944 | NPC79429 |
High Similarity | 0.8944 | NPC217635 |
High Similarity | 0.8944 | NPC253015 |
High Similarity | 0.8881 | NPC272619 |
High Similarity | 0.8881 | NPC476301 |
High Similarity | 0.8881 | NPC43508 |
High Similarity | 0.8881 | NPC286245 |
High Similarity | 0.8836 | NPC225815 |
High Similarity | 0.8836 | NPC185955 |
High Similarity | 0.8836 | NPC214326 |
High Similarity | 0.8836 | NPC469706 |
High Similarity | 0.8836 | NPC218041 |
High Similarity | 0.8836 | NPC182368 |
High Similarity | 0.8836 | NPC9933 |
High Similarity | 0.8836 | NPC145979 |
High Similarity | 0.8836 | NPC469707 |
High Similarity | 0.8836 | NPC260781 |
High Similarity | 0.8759 | NPC213074 |
High Similarity | 0.8759 | NPC193473 |
High Similarity | 0.8759 | NPC15956 |
High Similarity | 0.8759 | NPC224674 |
High Similarity | 0.8759 | NPC31325 |
High Similarity | 0.8759 | NPC114505 |
High Similarity | 0.8759 | NPC275284 |
High Similarity | 0.8716 | NPC21902 |
High Similarity | 0.8699 | NPC270751 |
High Similarity | 0.8636 | NPC25889 |
High Similarity | 0.8601 | NPC76871 |
High Similarity | 0.8582 | NPC68292 |
High Similarity | 0.8581 | NPC98624 |
High Similarity | 0.8581 | NPC472709 |
High Similarity | 0.8581 | NPC472710 |
High Similarity | 0.8571 | NPC476411 |
High Similarity | 0.8571 | NPC187194 |
High Similarity | 0.8552 | NPC471063 |
High Similarity | 0.8542 | NPC246947 |
High Similarity | 0.8542 | NPC253878 |
High Similarity | 0.8542 | NPC60249 |
Intermediate Similarity | 0.8483 | NPC470950 |
Intermediate Similarity | 0.8483 | NPC185307 |
Intermediate Similarity | 0.8478 | NPC270849 |
Intermediate Similarity | 0.8478 | NPC26653 |
Intermediate Similarity | 0.8472 | NPC471414 |
Intermediate Similarity | 0.8467 | NPC302610 |
Intermediate Similarity | 0.8456 | NPC158784 |
Intermediate Similarity | 0.8446 | NPC95990 |
Intermediate Similarity | 0.8435 | NPC205796 |
Intermediate Similarity | 0.8435 | NPC276753 |
Intermediate Similarity | 0.8425 | NPC129417 |
Intermediate Similarity | 0.8425 | NPC283995 |
Intermediate Similarity | 0.8425 | NPC470235 |
Intermediate Similarity | 0.8417 | NPC472024 |
Intermediate Similarity | 0.8417 | NPC80600 |
Intermediate Similarity | 0.8414 | NPC476356 |
Intermediate Similarity | 0.8411 | NPC78809 |
Intermediate Similarity | 0.8403 | NPC106944 |
Intermediate Similarity | 0.84 | NPC2745 |
Intermediate Similarity | 0.84 | NPC302915 |
Intermediate Similarity | 0.8392 | NPC470413 |
Intermediate Similarity | 0.8392 | NPC138738 |
Intermediate Similarity | 0.8378 | NPC474397 |
Intermediate Similarity | 0.8377 | NPC478269 |
Intermediate Similarity | 0.8369 | NPC227719 |
Intermediate Similarity | 0.8367 | NPC279298 |
Intermediate Similarity | 0.8367 | NPC277867 |
Intermediate Similarity | 0.8367 | NPC22150 |
Intermediate Similarity | 0.8367 | NPC475096 |
Intermediate Similarity | 0.8367 | NPC161700 |
Intermediate Similarity | 0.8367 | NPC38041 |
Intermediate Similarity | 0.8357 | NPC9912 |
Intermediate Similarity | 0.8356 | NPC46092 |
Intermediate Similarity | 0.8356 | NPC113680 |
Intermediate Similarity | 0.8356 | NPC278961 |
Intermediate Similarity | 0.8345 | NPC472711 |
Intermediate Similarity | 0.8344 | NPC222531 |
Intermediate Similarity | 0.8344 | NPC325860 |
Intermediate Similarity | 0.8344 | NPC157783 |
Intermediate Similarity | 0.8333 | NPC156376 |
Intermediate Similarity | 0.8333 | NPC195561 |
Intermediate Similarity | 0.8322 | NPC177035 |
Intermediate Similarity | 0.8322 | NPC199459 |
Intermediate Similarity | 0.8322 | NPC212142 |
Intermediate Similarity | 0.8322 | NPC52277 |
Intermediate Similarity | 0.8311 | NPC99515 |
Intermediate Similarity | 0.8311 | NPC233980 |
Intermediate Similarity | 0.8311 | NPC125755 |
Intermediate Similarity | 0.8311 | NPC112861 |
Intermediate Similarity | 0.8311 | NPC190714 |
Intermediate Similarity | 0.831 | NPC16485 |
Intermediate Similarity | 0.8299 | NPC473108 |
Intermediate Similarity | 0.8298 | NPC230219 |
Intermediate Similarity | 0.8298 | NPC18842 |
Intermediate Similarity | 0.8288 | NPC186033 |
Intermediate Similarity | 0.8288 | NPC48309 |
Intermediate Similarity | 0.8288 | NPC302506 |
Intermediate Similarity | 0.8288 | NPC5262 |
Intermediate Similarity | 0.8288 | NPC472714 |
Intermediate Similarity | 0.8273 | NPC302378 |
Intermediate Similarity | 0.8269 | NPC478267 |
Intermediate Similarity | 0.8267 | NPC35877 |
Intermediate Similarity | 0.8267 | NPC55715 |
Intermediate Similarity | 0.8267 | NPC95392 |
Intermediate Similarity | 0.8264 | NPC304152 |
Intermediate Similarity | 0.8255 | NPC227902 |
Intermediate Similarity | 0.8255 | NPC39657 |
Intermediate Similarity | 0.8252 | NPC79957 |
Intermediate Similarity | 0.8247 | NPC228357 |
Intermediate Similarity | 0.8243 | NPC18979 |
Intermediate Similarity | 0.8239 | NPC215833 |
Intermediate Similarity | 0.8239 | NPC69513 |
Intermediate Similarity | 0.8239 | NPC26394 |
Intermediate Similarity | 0.8231 | NPC37793 |
Intermediate Similarity | 0.8231 | NPC472451 |
Intermediate Similarity | 0.8231 | NPC477898 |
Intermediate Similarity | 0.8227 | NPC312341 |
Intermediate Similarity | 0.8224 | NPC476452 |
Intermediate Similarity | 0.8224 | NPC160196 |
Intermediate Similarity | 0.8219 | NPC210192 |
Intermediate Similarity | 0.8219 | NPC471908 |
Intermediate Similarity | 0.8219 | NPC265075 |
Intermediate Similarity | 0.8214 | NPC248355 |
Intermediate Similarity | 0.8214 | NPC166040 |
Intermediate Similarity | 0.8212 | NPC238140 |
Intermediate Similarity | 0.8212 | NPC475224 |
Intermediate Similarity | 0.8205 | NPC1253 |
Intermediate Similarity | 0.8205 | NPC100936 |
Intermediate Similarity | 0.8201 | NPC186889 |
Intermediate Similarity | 0.82 | NPC248132 |
Intermediate Similarity | 0.82 | NPC473876 |
Intermediate Similarity | 0.82 | NPC175976 |
Intermediate Similarity | 0.82 | NPC130449 |
Intermediate Similarity | 0.82 | NPC71726 |
Intermediate Similarity | 0.8194 | NPC54743 |
Intermediate Similarity | 0.8194 | NPC10737 |
Intermediate Similarity | 0.8194 | NPC475628 |
Intermediate Similarity | 0.8194 | NPC263367 |
Intermediate Similarity | 0.8194 | NPC177160 |
Intermediate Similarity | 0.8194 | NPC209985 |
Intermediate Similarity | 0.8194 | NPC472800 |
Intermediate Similarity | 0.8194 | NPC477939 |
Intermediate Similarity | 0.8194 | NPC29799 |
Intermediate Similarity | 0.8194 | NPC156502 |
Intermediate Similarity | 0.8188 | NPC241846 |
Intermediate Similarity | 0.8188 | NPC93610 |
Intermediate Similarity | 0.8182 | NPC170779 |
Intermediate Similarity | 0.8182 | NPC35731 |
Intermediate Similarity | 0.8182 | NPC48863 |
Intermediate Similarity | 0.8182 | NPC478085 |
Intermediate Similarity | 0.8182 | NPC311256 |
Intermediate Similarity | 0.8182 | NPC90083 |
Intermediate Similarity | 0.8182 | NPC251981 |
Intermediate Similarity | 0.8182 | NPC13745 |
Intermediate Similarity | 0.8176 | NPC84181 |
Intermediate Similarity | 0.8176 | NPC179521 |
Intermediate Similarity | 0.8176 | NPC473845 |
Intermediate Similarity | 0.8176 | NPC472712 |
Intermediate Similarity | 0.8176 | NPC76176 |
Intermediate Similarity | 0.8176 | NPC168579 |
Intermediate Similarity | 0.8176 | NPC50250 |
Intermediate Similarity | 0.8176 | NPC138227 |
Intermediate Similarity | 0.8176 | NPC118385 |
Intermediate Similarity | 0.8176 | NPC472713 |
Intermediate Similarity | 0.8176 | NPC473046 |
Intermediate Similarity | 0.8176 | NPC473045 |
Intermediate Similarity | 0.8176 | NPC25292 |
Intermediate Similarity | 0.8176 | NPC469313 |
Intermediate Similarity | 0.8176 | NPC187774 |
Intermediate Similarity | 0.817 | NPC469699 |
Intermediate Similarity | 0.8169 | NPC59239 |
Intermediate Similarity | 0.8163 | NPC475084 |
Intermediate Similarity | 0.8163 | NPC469559 |
Intermediate Similarity | 0.8163 | NPC189115 |
Intermediate Similarity | 0.8163 | NPC191231 |
Intermediate Similarity | 0.8156 | NPC470727 |
Intermediate Similarity | 0.8153 | NPC115624 |
TTD   | DIB012676 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 446.27 |
ALogP   | 1.2217 |
MLogP   | 3.66 |
XLogP   | 5.238 |
HDA   | 4 |
HBD   | 3 |
Rotatable Bonds   | 13 |
TPSA   | 88.38 |
RO5 Violation   | 1 |