Drug ID:   | NPD1201 |
Drug Name:   | Anthralin |
Molecular Formula:   | C14H10O3 |
Canonical SMILES:   | Oc1cccc2c1C(=O)c1c(C2)cccc1O |
Standard InCHI:   | InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2 |
Standard InCHIKey:   | NUZWLKWWNNJHPT-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 | 0.9744 | NPC173978 |
High Similarity | 0.9661 | NPC103540 |
High Similarity | 0.9573 | NPC300274 |
High Similarity | 0.9492 | NPC375356 |
High Similarity | 0.9421 | NPC282923 |
High Similarity | 0.9344 | NPC99731 |
High Similarity | 0.9256 | NPC96915 |
High Similarity | 0.9256 | NPC3224 |
High Similarity | 0.925 | NPC142956 |
High Similarity | 0.9194 | NPC72669 |
High Similarity | 0.9194 | NPC205992 |
High Similarity | 0.9194 | NPC474517 |
High Similarity | 0.912 | NPC70622 |
High Similarity | 0.9106 | NPC48248 |
High Similarity | 0.9048 | NPC115458 |
High Similarity | 0.8992 | NPC206778 |
High Similarity | 0.8992 | NPC285829 |
High Similarity | 0.8976 | NPC288089 |
High Similarity | 0.8976 | NPC287604 |
High Similarity | 0.8976 | NPC161964 |
High Similarity | 0.8976 | NPC44437 |
High Similarity | 0.8976 | NPC472262 |
High Similarity | 0.8974 | NPC477453 |
High Similarity | 0.896 | NPC136588 |
High Similarity | 0.896 | NPC199253 |
High Similarity | 0.8943 | NPC231774 |
High Similarity | 0.8943 | NPC160499 |
High Similarity | 0.8934 | NPC234890 |
High Similarity | 0.8934 | NPC74507 |
High Similarity | 0.8926 | NPC307174 |
High Similarity | 0.8906 | NPC283088 |
High Similarity | 0.8898 | NPC267205 |
High Similarity | 0.8898 | NPC314048 |
High Similarity | 0.888 | NPC34414 |
High Similarity | 0.888 | NPC146647 |
High Similarity | 0.8843 | NPC120545 |
High Similarity | 0.8837 | NPC141934 |
High Similarity | 0.8837 | NPC474813 |
High Similarity | 0.8837 | NPC272268 |
High Similarity | 0.8833 | NPC473662 |
High Similarity | 0.8833 | NPC216297 |
High Similarity | 0.8833 | NPC7151 |
High Similarity | 0.8819 | NPC58685 |
High Similarity | 0.8814 | NPC108288 |
High Similarity | 0.881 | NPC475741 |
High Similarity | 0.881 | NPC31799 |
High Similarity | 0.878 | NPC68756 |
High Similarity | 0.878 | NPC152525 |
High Similarity | 0.878 | NPC236189 |
High Similarity | 0.877 | NPC244351 |
High Similarity | 0.877 | NPC91478 |
High Similarity | 0.877 | NPC283514 |
High Similarity | 0.8769 | NPC53414 |
High Similarity | 0.8769 | NPC245923 |
High Similarity | 0.8769 | NPC53206 |
High Similarity | 0.875 | NPC52407 |
High Similarity | 0.875 | NPC225051 |
High Similarity | 0.875 | NPC294226 |
High Similarity | 0.874 | NPC244699 |
High Similarity | 0.873 | NPC92624 |
High Similarity | 0.8729 | NPC161304 |
High Similarity | 0.872 | NPC471530 |
High Similarity | 0.8702 | NPC416 |
High Similarity | 0.8702 | NPC61398 |
High Similarity | 0.8702 | NPC13715 |
High Similarity | 0.8692 | NPC191976 |
High Similarity | 0.8692 | NPC254847 |
High Similarity | 0.8689 | NPC198336 |
High Similarity | 0.8682 | NPC12070 |
High Similarity | 0.8661 | NPC55949 |
High Similarity | 0.8661 | NPC259942 |
High Similarity | 0.864 | NPC1991 |
High Similarity | 0.864 | NPC306765 |
High Similarity | 0.8636 | NPC242994 |
High Similarity | 0.8636 | NPC26924 |
High Similarity | 0.8636 | NPC138099 |
High Similarity | 0.8636 | NPC1268 |
High Similarity | 0.8629 | NPC310540 |
High Similarity | 0.8626 | NPC471905 |
High Similarity | 0.8626 | NPC147418 |
High Similarity | 0.8626 | NPC305060 |
High Similarity | 0.8615 | NPC249272 |
High Similarity | 0.8615 | NPC161632 |
High Similarity | 0.8615 | NPC80035 |
High Similarity | 0.8605 | NPC53896 |
High Similarity | 0.8605 | NPC114183 |
High Similarity | 0.8595 | NPC188814 |
High Similarity | 0.8595 | NPC184579 |
High Similarity | 0.8595 | NPC233165 |
High Similarity | 0.8595 | NPC195262 |
High Similarity | 0.8594 | NPC41847 |
High Similarity | 0.8583 | NPC278928 |
High Similarity | 0.8583 | NPC276238 |
High Similarity | 0.8583 | NPC125252 |
High Similarity | 0.8571 | NPC315578 |
High Similarity | 0.8571 | NPC181560 |
High Similarity | 0.8571 | NPC203063 |
High Similarity | 0.8571 | NPC169452 |
High Similarity | 0.8571 | NPC96421 |
High Similarity | 0.8571 | NPC225243 |
High Similarity | 0.855 | NPC193358 |
High Similarity | 0.855 | NPC155211 |
High Similarity | 0.8538 | NPC166480 |
High Similarity | 0.8538 | NPC50924 |
High Similarity | 0.8538 | NPC270899 |
High Similarity | 0.8538 | NPC282780 |
High Similarity | 0.8527 | NPC246693 |
High Similarity | 0.8527 | NPC110609 |
High Similarity | 0.8527 | NPC175738 |
High Similarity | 0.8527 | NPC242358 |
High Similarity | 0.8522 | NPC141523 |
High Similarity | 0.8516 | NPC31539 |
High Similarity | 0.8512 | NPC41567 |
High Similarity | 0.8507 | NPC124365 |
High Similarity | 0.8507 | NPC106519 |
High Similarity | 0.8507 | NPC477275 |
High Similarity | 0.8507 | NPC91019 |
High Similarity | 0.8504 | NPC247250 |
High Similarity | 0.8504 | NPC95537 |
High Similarity | 0.8504 | NPC96024 |
High Similarity | 0.8504 | NPC767 |
Intermediate Similarity | 0.8496 | NPC143438 |
Intermediate Similarity | 0.8496 | NPC190457 |
Intermediate Similarity | 0.8492 | NPC8745 |
Intermediate Similarity | 0.8485 | NPC53001 |
Intermediate Similarity | 0.8485 | NPC62272 |
Intermediate Similarity | 0.848 | NPC199273 |
Intermediate Similarity | 0.848 | NPC13238 |
Intermediate Similarity | 0.8473 | NPC258502 |
Intermediate Similarity | 0.8468 | NPC176208 |
Intermediate Similarity | 0.8455 | NPC222876 |
Intermediate Similarity | 0.8455 | NPC26433 |
Intermediate Similarity | 0.8455 | NPC272454 |
Intermediate Similarity | 0.8455 | NPC115188 |
Intermediate Similarity | 0.8455 | NPC35856 |
Intermediate Similarity | 0.8455 | NPC159760 |
Intermediate Similarity | 0.8455 | NPC179092 |
Intermediate Similarity | 0.8455 | NPC301987 |
Intermediate Similarity | 0.8455 | NPC292665 |
Intermediate Similarity | 0.8455 | NPC178395 |
Intermediate Similarity | 0.8455 | NPC244994 |
Intermediate Similarity | 0.845 | NPC85342 |
Intermediate Similarity | 0.845 | NPC93015 |
Intermediate Similarity | 0.8448 | NPC224584 |
Intermediate Similarity | 0.8444 | NPC73061 |
Intermediate Similarity | 0.8444 | NPC257644 |
Intermediate Similarity | 0.8444 | NPC239136 |
Intermediate Similarity | 0.8444 | NPC193555 |
Intermediate Similarity | 0.8444 | NPC19631 |
Intermediate Similarity | 0.8443 | NPC232178 |
Intermediate Similarity | 0.8438 | NPC109123 |
Intermediate Similarity | 0.8425 | NPC176130 |
Intermediate Similarity | 0.8425 | NPC69424 |
Intermediate Similarity | 0.8425 | NPC78364 |
Intermediate Similarity | 0.8425 | NPC84672 |
Intermediate Similarity | 0.8421 | NPC87723 |
Intermediate Similarity | 0.8421 | NPC4214 |
Intermediate Similarity | 0.8417 | NPC240163 |
Intermediate Similarity | 0.8413 | NPC10926 |
Intermediate Similarity | 0.8413 | NPC477454 |
Intermediate Similarity | 0.8409 | NPC118919 |
Intermediate Similarity | 0.8387 | NPC242895 |
Intermediate Similarity | 0.8387 | NPC156139 |
Intermediate Similarity | 0.8387 | NPC196976 |
Intermediate Similarity | 0.8385 | NPC309430 |
Intermediate Similarity | 0.8382 | NPC296752 |
Intermediate Similarity | 0.8382 | NPC451542 |
Intermediate Similarity | 0.8382 | NPC238629 |
Intermediate Similarity | 0.8382 | NPC295712 |
Intermediate Similarity | 0.8382 | NPC313047 |
Intermediate Similarity | 0.8382 | NPC474203 |
Intermediate Similarity | 0.8382 | NPC471682 |
Intermediate Similarity | 0.837 | NPC246638 |
Intermediate Similarity | 0.837 | NPC290550 |
Intermediate Similarity | 0.837 | NPC204045 |
Intermediate Similarity | 0.837 | NPC305845 |
Intermediate Similarity | 0.8361 | NPC184527 |
Intermediate Similarity | 0.8359 | NPC237225 |
Intermediate Similarity | 0.8359 | NPC234175 |
Intermediate Similarity | 0.8359 | NPC165257 |
Intermediate Similarity | 0.8346 | NPC49647 |
Intermediate Similarity | 0.8346 | NPC227741 |
Intermediate Similarity | 0.8346 | NPC473691 |
Intermediate Similarity | 0.8346 | NPC295202 |
Intermediate Similarity | 0.8346 | NPC136342 |
Intermediate Similarity | 0.8346 | NPC254492 |
Intermediate Similarity | 0.8333 | NPC118288 |
Intermediate Similarity | 0.8333 | NPC164014 |
Intermediate Similarity | 0.8333 | NPC276111 |
Intermediate Similarity | 0.8321 | NPC193703 |
Intermediate Similarity | 0.8321 | NPC48130 |
Intermediate Similarity | 0.8321 | NPC10764 |
Intermediate Similarity | 0.8321 | NPC21599 |
Intermediate Similarity | 0.8321 | NPC171968 |
Intermediate Similarity | 0.8321 | NPC218866 |
Intermediate Similarity | 0.8321 | NPC84568 |
Intermediate Similarity | 0.8321 | NPC300684 |
Intermediate Similarity | 0.832 | NPC282577 |
Intermediate Similarity | 0.832 | NPC133909 |
Intermediate Similarity | 0.832 | NPC32032 |
TTD   | DIB014812 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 226.06 |
ALogP   | -0.7282 |
MLogP   | 2.67 |
XLogP   | 2.644 |
HDA   | 1 |
HBD   | 2 |
Rotatable Bonds   | 2 |
TPSA   | 57.53 |
RO5 Violation   | 0 |