Drug ID:   | NPD2344 |
Drug Name:   | Benzarone |
Molecular Formula:   | C17H14O3 |
Canonical SMILES:   | CCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2 |
Standard InCHI:   | InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3 |
Standard InCHIKey:   | RFRXIWQYSOIBDI-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 | 0.9124 | NPC62735 |
High Similarity | 0.9118 | NPC163029 |
High Similarity | 0.9097 | NPC156244 |
High Similarity | 0.9078 | NPC230943 |
High Similarity | 0.9034 | NPC67654 |
High Similarity | 0.9007 | NPC302181 |
High Similarity | 0.9007 | NPC225884 |
High Similarity | 0.8936 | NPC53192 |
High Similarity | 0.8889 | NPC135325 |
High Similarity | 0.8881 | NPC51641 |
High Similarity | 0.8881 | NPC210826 |
High Similarity | 0.8881 | NPC300267 |
High Similarity | 0.8851 | NPC247677 |
High Similarity | 0.8851 | NPC160015 |
High Similarity | 0.8836 | NPC115324 |
High Similarity | 0.8836 | NPC193976 |
High Similarity | 0.8836 | NPC23668 |
High Similarity | 0.8828 | NPC226644 |
High Similarity | 0.8828 | NPC37226 |
High Similarity | 0.8819 | NPC17816 |
High Similarity | 0.8819 | NPC252208 |
High Similarity | 0.8819 | NPC12148 |
High Similarity | 0.8819 | NPC130581 |
High Similarity | 0.8811 | NPC155144 |
High Similarity | 0.8792 | NPC296957 |
High Similarity | 0.8792 | NPC260902 |
High Similarity | 0.8776 | NPC142308 |
High Similarity | 0.8776 | NPC207624 |
High Similarity | 0.8776 | NPC41326 |
High Similarity | 0.8767 | NPC78335 |
High Similarity | 0.8767 | NPC167576 |
High Similarity | 0.8767 | NPC230713 |
High Similarity | 0.8759 | NPC272194 |
High Similarity | 0.8733 | NPC244750 |
High Similarity | 0.8733 | NPC476350 |
High Similarity | 0.8733 | NPC476349 |
High Similarity | 0.8716 | NPC235333 |
High Similarity | 0.8716 | NPC1477 |
High Similarity | 0.8716 | NPC213608 |
High Similarity | 0.8707 | NPC106372 |
High Similarity | 0.8707 | NPC58668 |
High Similarity | 0.8707 | NPC170169 |
High Similarity | 0.8699 | NPC39929 |
High Similarity | 0.8699 | NPC296030 |
High Similarity | 0.8699 | NPC178202 |
High Similarity | 0.8699 | NPC221868 |
High Similarity | 0.8699 | NPC226578 |
High Similarity | 0.8699 | NPC37208 |
High Similarity | 0.8681 | NPC98926 |
High Similarity | 0.8675 | NPC260296 |
High Similarity | 0.8675 | NPC115432 |
High Similarity | 0.8658 | NPC99199 |
High Similarity | 0.8658 | NPC297531 |
High Similarity | 0.8658 | NPC213936 |
High Similarity | 0.8658 | NPC148938 |
High Similarity | 0.8649 | NPC5871 |
High Similarity | 0.86 | NPC13879 |
High Similarity | 0.8591 | NPC472462 |
High Similarity | 0.8591 | NPC72370 |
High Similarity | 0.8582 | NPC228661 |
High Similarity | 0.8581 | NPC116604 |
High Similarity | 0.855 | NPC246214 |
High Similarity | 0.8543 | NPC268360 |
High Similarity | 0.8543 | NPC65504 |
High Similarity | 0.8543 | NPC164110 |
High Similarity | 0.8543 | NPC212967 |
High Similarity | 0.8543 | NPC246647 |
High Similarity | 0.8543 | NPC96342 |
High Similarity | 0.8533 | NPC198490 |
High Similarity | 0.8531 | NPC28337 |
High Similarity | 0.8523 | NPC263676 |
High Similarity | 0.8506 | NPC155640 |
Intermediate Similarity | 0.8487 | NPC472877 |
Intermediate Similarity | 0.8487 | NPC40583 |
Intermediate Similarity | 0.8477 | NPC180924 |
Intermediate Similarity | 0.8477 | NPC137100 |
Intermediate Similarity | 0.8467 | NPC183874 |
Intermediate Similarity | 0.8467 | NPC122365 |
Intermediate Similarity | 0.8456 | NPC22783 |
Intermediate Similarity | 0.8451 | NPC265181 |
Intermediate Similarity | 0.8431 | NPC300680 |
Intermediate Similarity | 0.8425 | NPC303185 |
Intermediate Similarity | 0.8425 | NPC184649 |
Intermediate Similarity | 0.8414 | NPC202981 |
Intermediate Similarity | 0.8414 | NPC96791 |
Intermediate Similarity | 0.8414 | NPC226942 |
Intermediate Similarity | 0.8414 | NPC470636 |
Intermediate Similarity | 0.8406 | NPC7569 |
Intermediate Similarity | 0.8406 | NPC245395 |
Intermediate Similarity | 0.8406 | NPC278787 |
Intermediate Similarity | 0.8392 | NPC112757 |
Intermediate Similarity | 0.8392 | NPC124269 |
Intermediate Similarity | 0.8387 | NPC38591 |
Intermediate Similarity | 0.838 | NPC240593 |
Intermediate Similarity | 0.838 | NPC213603 |
Intermediate Similarity | 0.8378 | NPC280025 |
Intermediate Similarity | 0.8377 | NPC188486 |
Intermediate Similarity | 0.837 | NPC193805 |
Intermediate Similarity | 0.8367 | NPC299011 |
Intermediate Similarity | 0.8356 | NPC113770 |
Intermediate Similarity | 0.8356 | NPC17262 |
Intermediate Similarity | 0.8356 | NPC93241 |
Intermediate Similarity | 0.8356 | NPC27798 |
Intermediate Similarity | 0.8355 | NPC45131 |
Intermediate Similarity | 0.8345 | NPC141549 |
Intermediate Similarity | 0.8345 | NPC69755 |
Intermediate Similarity | 0.8344 | NPC320789 |
Intermediate Similarity | 0.8344 | NPC158261 |
Intermediate Similarity | 0.8344 | NPC186392 |
Intermediate Similarity | 0.8344 | NPC42458 |
Intermediate Similarity | 0.8333 | NPC29411 |
Intermediate Similarity | 0.8333 | NPC291110 |
Intermediate Similarity | 0.8333 | NPC939 |
Intermediate Similarity | 0.8323 | NPC477239 |
Intermediate Similarity | 0.8323 | NPC84515 |
Intermediate Similarity | 0.8323 | NPC312056 |
Intermediate Similarity | 0.8323 | NPC3448 |
Intermediate Similarity | 0.8322 | NPC254841 |
Intermediate Similarity | 0.8322 | NPC266597 |
Intermediate Similarity | 0.8322 | NPC188879 |
Intermediate Similarity | 0.8322 | NPC250266 |
Intermediate Similarity | 0.8322 | NPC317492 |
Intermediate Similarity | 0.8311 | NPC198427 |
Intermediate Similarity | 0.831 | NPC239495 |
Intermediate Similarity | 0.831 | NPC9985 |
Intermediate Similarity | 0.8301 | NPC294300 |
Intermediate Similarity | 0.8301 | NPC217602 |
Intermediate Similarity | 0.8301 | NPC104380 |
Intermediate Similarity | 0.8301 | NPC476404 |
Intermediate Similarity | 0.8301 | NPC473282 |
Intermediate Similarity | 0.8301 | NPC317900 |
Intermediate Similarity | 0.8299 | NPC234629 |
Intermediate Similarity | 0.8299 | NPC311741 |
Intermediate Similarity | 0.8299 | NPC311144 |
Intermediate Similarity | 0.8298 | NPC57601 |
Intermediate Similarity | 0.8289 | NPC474542 |
Intermediate Similarity | 0.8288 | NPC117674 |
Intermediate Similarity | 0.8288 | NPC144499 |
Intermediate Similarity | 0.8286 | NPC262359 |
Intermediate Similarity | 0.8286 | NPC308037 |
Intermediate Similarity | 0.8286 | NPC313618 |
Intermediate Similarity | 0.8286 | NPC64359 |
Intermediate Similarity | 0.8278 | NPC125300 |
Intermediate Similarity | 0.8278 | NPC253872 |
Intermediate Similarity | 0.8276 | NPC235239 |
Intermediate Similarity | 0.8276 | NPC261227 |
Intermediate Similarity | 0.8276 | NPC305355 |
Intermediate Similarity | 0.8276 | NPC270883 |
Intermediate Similarity | 0.8276 | NPC69769 |
Intermediate Similarity | 0.8276 | NPC172986 |
Intermediate Similarity | 0.8276 | NPC475680 |
Intermediate Similarity | 0.8269 | NPC109180 |
Intermediate Similarity | 0.8269 | NPC159508 |
Intermediate Similarity | 0.8269 | NPC89131 |
Intermediate Similarity | 0.8267 | NPC472406 |
Intermediate Similarity | 0.8267 | NPC13282 |
Intermediate Similarity | 0.8264 | NPC90665 |
Intermediate Similarity | 0.8264 | NPC99333 |
Intermediate Similarity | 0.8264 | NPC55162 |
Intermediate Similarity | 0.8264 | NPC12175 |
Intermediate Similarity | 0.8264 | NPC278323 |
Intermediate Similarity | 0.8264 | NPC309154 |
Intermediate Similarity | 0.8264 | NPC279668 |
Intermediate Similarity | 0.8264 | NPC201395 |
Intermediate Similarity | 0.8264 | NPC188947 |
Intermediate Similarity | 0.8264 | NPC280284 |
Intermediate Similarity | 0.8258 | NPC304387 |
Intermediate Similarity | 0.8255 | NPC168085 |
Intermediate Similarity | 0.8255 | NPC39195 |
Intermediate Similarity | 0.8252 | NPC234133 |
Intermediate Similarity | 0.8252 | NPC127447 |
Intermediate Similarity | 0.8252 | NPC231772 |
Intermediate Similarity | 0.8252 | NPC47815 |
Intermediate Similarity | 0.8252 | NPC13408 |
Intermediate Similarity | 0.8252 | NPC473887 |
Intermediate Similarity | 0.8252 | NPC29353 |
Intermediate Similarity | 0.8252 | NPC194281 |
Intermediate Similarity | 0.8252 | NPC124784 |
Intermediate Similarity | 0.8248 | NPC237868 |
Intermediate Similarity | 0.8247 | NPC196879 |
Intermediate Similarity | 0.8247 | NPC16935 |
Intermediate Similarity | 0.8243 | NPC477955 |
Intermediate Similarity | 0.8239 | NPC172262 |
Intermediate Similarity | 0.8239 | NPC120220 |
Intermediate Similarity | 0.8239 | NPC286336 |
Intermediate Similarity | 0.8235 | NPC472461 |
Intermediate Similarity | 0.8231 | NPC106985 |
Intermediate Similarity | 0.8231 | NPC251182 |
Intermediate Similarity | 0.8231 | NPC166138 |
Intermediate Similarity | 0.8231 | NPC18585 |
Intermediate Similarity | 0.8231 | NPC262935 |
Intermediate Similarity | 0.8231 | NPC172182 |
Intermediate Similarity | 0.8231 | NPC11700 |
Intermediate Similarity | 0.8228 | NPC86477 |
Intermediate Similarity | 0.8228 | NPC50394 |
Intermediate Similarity | 0.8227 | NPC129132 |
Intermediate Similarity | 0.8227 | NPC257756 |
Intermediate Similarity | 0.8227 | NPC205468 |
Intermediate Similarity | 0.8227 | NPC87231 |
Intermediate Similarity | 0.8227 | NPC212631 |
Molecular Weight   | 266.09 |
ALogP   | -1.1149 |
MLogP   | 3 |
XLogP   | 4.153 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 50.44 |
RO5 Violation   | 0 |