Drug ID:   | NPD6167 |
Drug Name:   | |
Molecular Formula:   | C25H22O10 |
Canonical SMILES:   | OC[C@@H]1Oc2ccc(cc2O[C@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O |
Standard InCHI:   | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1 |
Standard InCHIKey:   | SEBFKMXJBCUCAI-WAABAYLZSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 | 1.0 | NPC36 |
High Similarity | 1.0 | NPC58223 |
High Similarity | 1.0 | NPC7154 |
High Similarity | 1.0 | NPC36916 |
High Similarity | 1.0 | NPC125039 |
High Similarity | 1.0 | NPC72787 |
High Similarity | 1.0 | NPC7688 |
High Similarity | 0.9679 | NPC165970 |
High Similarity | 0.9679 | NPC305987 |
High Similarity | 0.9679 | NPC288131 |
High Similarity | 0.9679 | NPC66618 |
High Similarity | 0.9679 | NPC158188 |
High Similarity | 0.9679 | NPC84324 |
High Similarity | 0.9679 | NPC113163 |
High Similarity | 0.9623 | NPC14662 |
High Similarity | 0.9623 | NPC295082 |
High Similarity | 0.962 | NPC477840 |
High Similarity | 0.9618 | NPC477841 |
High Similarity | 0.9615 | NPC101731 |
High Similarity | 0.956 | NPC471213 |
High Similarity | 0.9554 | NPC142252 |
High Similarity | 0.9554 | NPC471499 |
High Similarity | 0.9551 | NPC172202 |
High Similarity | 0.9551 | NPC284127 |
High Similarity | 0.9551 | NPC476410 |
High Similarity | 0.9548 | NPC320825 |
High Similarity | 0.9548 | NPC250922 |
High Similarity | 0.9548 | NPC326037 |
High Similarity | 0.9548 | NPC13858 |
High Similarity | 0.9503 | NPC102277 |
High Similarity | 0.9503 | NPC279209 |
High Similarity | 0.95 | NPC260266 |
High Similarity | 0.95 | NPC243877 |
High Similarity | 0.9494 | NPC219927 |
High Similarity | 0.9494 | NPC476247 |
High Similarity | 0.949 | NPC470326 |
High Similarity | 0.949 | NPC287328 |
High Similarity | 0.949 | NPC282009 |
High Similarity | 0.9487 | NPC52530 |
High Similarity | 0.9487 | NPC471515 |
High Similarity | 0.9487 | NPC183851 |
High Similarity | 0.9487 | NPC63454 |
High Similarity | 0.9487 | NPC471479 |
High Similarity | 0.9444 | NPC186847 |
High Similarity | 0.9444 | NPC472454 |
High Similarity | 0.9444 | NPC257667 |
High Similarity | 0.9441 | NPC475212 |
High Similarity | 0.9434 | NPC472625 |
High Similarity | 0.943 | NPC472632 |
High Similarity | 0.943 | NPC289771 |
High Similarity | 0.943 | NPC173137 |
High Similarity | 0.943 | NPC26326 |
High Similarity | 0.9427 | NPC22192 |
High Similarity | 0.9423 | NPC471500 |
High Similarity | 0.9419 | NPC18727 |
High Similarity | 0.9375 | NPC224280 |
High Similarity | 0.9375 | NPC62261 |
High Similarity | 0.9371 | NPC474033 |
High Similarity | 0.9371 | NPC474034 |
High Similarity | 0.9367 | NPC174953 |
High Similarity | 0.9367 | NPC263449 |
High Similarity | 0.9367 | NPC470183 |
High Similarity | 0.9363 | NPC67876 |
High Similarity | 0.9363 | NPC472598 |
High Similarity | 0.9363 | NPC474055 |
High Similarity | 0.9355 | NPC61506 |
High Similarity | 0.9355 | NPC240476 |
High Similarity | 0.9355 | NPC246162 |
High Similarity | 0.9355 | NPC9743 |
High Similarity | 0.9355 | NPC36835 |
High Similarity | 0.9355 | NPC302950 |
High Similarity | 0.9355 | NPC219582 |
High Similarity | 0.9355 | NPC19721 |
High Similarity | 0.9355 | NPC260491 |
High Similarity | 0.9355 | NPC236637 |
High Similarity | 0.9321 | NPC270578 |
High Similarity | 0.9321 | NPC52382 |
High Similarity | 0.9317 | NPC236934 |
High Similarity | 0.9317 | NPC5778 |
High Similarity | 0.9317 | NPC477517 |
High Similarity | 0.9308 | NPC471211 |
High Similarity | 0.9308 | NPC474038 |
High Similarity | 0.9308 | NPC112418 |
High Similarity | 0.9308 | NPC472634 |
High Similarity | 0.9308 | NPC471212 |
High Similarity | 0.9308 | NPC471210 |
High Similarity | 0.9308 | NPC308992 |
High Similarity | 0.9304 | NPC473990 |
High Similarity | 0.9304 | NPC53545 |
High Similarity | 0.9304 | NPC117418 |
High Similarity | 0.9299 | NPC195796 |
High Similarity | 0.9299 | NPC291878 |
High Similarity | 0.9299 | NPC35038 |
High Similarity | 0.9299 | NPC278778 |
High Similarity | 0.9295 | NPC27532 |
High Similarity | 0.9295 | NPC325028 |
High Similarity | 0.9295 | NPC256346 |
High Similarity | 0.9295 | NPC246328 |
High Similarity | 0.9264 | NPC177731 |
High Similarity | 0.9264 | NPC79056 |
High Similarity | 0.9264 | NPC285197 |
High Similarity | 0.9264 | NPC231194 |
High Similarity | 0.9264 | NPC51326 |
High Similarity | 0.9264 | NPC476365 |
High Similarity | 0.9264 | NPC105095 |
High Similarity | 0.9264 | NPC95866 |
High Similarity | 0.9264 | NPC67105 |
High Similarity | 0.9264 | NPC44328 |
High Similarity | 0.9259 | NPC160156 |
High Similarity | 0.9259 | NPC92565 |
High Similarity | 0.9255 | NPC234052 |
High Similarity | 0.925 | NPC471745 |
High Similarity | 0.925 | NPC472635 |
High Similarity | 0.9245 | NPC192686 |
High Similarity | 0.9245 | NPC118256 |
High Similarity | 0.9245 | NPC471744 |
High Similarity | 0.9245 | NPC475784 |
High Similarity | 0.9245 | NPC119209 |
High Similarity | 0.9245 | NPC472630 |
High Similarity | 0.9245 | NPC472631 |
High Similarity | 0.9241 | NPC162869 |
High Similarity | 0.9241 | NPC156057 |
High Similarity | 0.9241 | NPC471209 |
High Similarity | 0.9241 | NPC474208 |
High Similarity | 0.9241 | NPC475267 |
High Similarity | 0.9241 | NPC474836 |
High Similarity | 0.9241 | NPC27337 |
High Similarity | 0.9241 | NPC48208 |
High Similarity | 0.9241 | NPC291508 |
High Similarity | 0.9236 | NPC200761 |
High Similarity | 0.9236 | NPC470327 |
High Similarity | 0.9236 | NPC45849 |
High Similarity | 0.9236 | NPC321779 |
High Similarity | 0.9236 | NPC477503 |
High Similarity | 0.9231 | NPC472912 |
High Similarity | 0.9226 | NPC338131 |
High Similarity | 0.9217 | NPC217520 |
High Similarity | 0.9217 | NPC139571 |
High Similarity | 0.9212 | NPC294629 |
High Similarity | 0.9212 | NPC16194 |
High Similarity | 0.9212 | NPC220173 |
High Similarity | 0.9212 | NPC476472 |
High Similarity | 0.9212 | NPC473327 |
High Similarity | 0.9212 | NPC19108 |
High Similarity | 0.9212 | NPC294815 |
High Similarity | 0.9207 | NPC33054 |
High Similarity | 0.9207 | NPC155877 |
High Similarity | 0.9207 | NPC26230 |
High Similarity | 0.9207 | NPC471725 |
High Similarity | 0.9207 | NPC256760 |
High Similarity | 0.9207 | NPC203259 |
High Similarity | 0.9207 | NPC81332 |
High Similarity | 0.9207 | NPC471748 |
High Similarity | 0.9207 | NPC262580 |
High Similarity | 0.9207 | NPC134532 |
High Similarity | 0.9207 | NPC212038 |
High Similarity | 0.9207 | NPC289396 |
High Similarity | 0.9207 | NPC60735 |
High Similarity | 0.9207 | NPC67134 |
High Similarity | 0.9207 | NPC47140 |
High Similarity | 0.9207 | NPC176740 |
High Similarity | 0.9207 | NPC271848 |
High Similarity | 0.9202 | NPC203050 |
High Similarity | 0.9202 | NPC326877 |
High Similarity | 0.9202 | NPC188079 |
High Similarity | 0.9202 | NPC120099 |
High Similarity | 0.9202 | NPC43587 |
High Similarity | 0.9202 | NPC223747 |
High Similarity | 0.9202 | NPC177480 |
High Similarity | 0.9202 | NPC293629 |
High Similarity | 0.9202 | NPC225434 |
High Similarity | 0.9202 | NPC227508 |
High Similarity | 0.9202 | NPC195257 |
High Similarity | 0.9202 | NPC229687 |
High Similarity | 0.9202 | NPC107627 |
High Similarity | 0.9202 | NPC209296 |
High Similarity | 0.9202 | NPC219904 |
High Similarity | 0.9198 | NPC224851 |
High Similarity | 0.9198 | NPC21100 |
High Similarity | 0.9198 | NPC197285 |
High Similarity | 0.9198 | NPC115674 |
High Similarity | 0.9198 | NPC210073 |
High Similarity | 0.9193 | NPC29830 |
High Similarity | 0.9187 | NPC134783 |
High Similarity | 0.9182 | NPC55738 |
High Similarity | 0.9182 | NPC123544 |
High Similarity | 0.9182 | NPC152904 |
High Similarity | 0.9177 | NPC201837 |
High Similarity | 0.9177 | NPC235165 |
High Similarity | 0.9177 | NPC470328 |
High Similarity | 0.9177 | NPC208152 |
High Similarity | 0.9177 | NPC209614 |
High Similarity | 0.9177 | NPC255106 |
High Similarity | 0.9177 | NPC474638 |
High Similarity | 0.9177 | NPC472626 |
High Similarity | 0.9177 | NPC78492 |
High Similarity | 0.9172 | NPC192083 |
High Similarity | 0.9172 | NPC213896 |
High Similarity | 0.9172 | NPC141212 |
High Similarity | 0.9172 | NPC236223 |
Molecular Weight   | 482.12 |
ALogP   | -3.3761 |
MLogP   | 3.11 |
XLogP   | 0.66 |
HDA   | 3 |
HBD   | 5 |
Rotatable Bonds   | 10 |
TPSA   | 155.14 |
RO5 Violation   | 0 |