Drug ID:   | NPD3798 |
Drug Name:   | Exisulind |
Molecular Formula:   | C20H17FO4S |
Canonical SMILES:   | OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)(=O)C)/c2c1cc(F)cc2 |
Standard InCHI:   | InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
Standard InCHIKey:   | MVGSNCBCUWPVDA-MFOYZWKCSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
Intermediate Similarity | 0.7203 | NPC264728 |
Intermediate Similarity | 0.7069 | NPC172925 |
Intermediate Similarity | 0.7034 | NPC120393 |
Intermediate Similarity | 0.7009 | NPC469893 |
Remote Similarity | 0.6957 | NPC86987 |
Remote Similarity | 0.6949 | NPC469891 |
Remote Similarity | 0.6949 | NPC469892 |
Remote Similarity | 0.6949 | NPC469890 |
Remote Similarity | 0.6917 | NPC133809 |
Remote Similarity | 0.6917 | NPC225079 |
Remote Similarity | 0.6917 | NPC128248 |
Remote Similarity | 0.6917 | NPC136810 |
Remote Similarity | 0.6864 | NPC261947 |
Remote Similarity | 0.6847 | NPC44830 |
Remote Similarity | 0.6774 | NPC94751 |
Remote Similarity | 0.6774 | NPC244933 |
Remote Similarity | 0.6774 | NPC142326 |
Remote Similarity | 0.6774 | NPC85560 |
Remote Similarity | 0.6754 | NPC322387 |
Remote Similarity | 0.6727 | NPC127343 |
Remote Similarity | 0.6724 | NPC274455 |
Remote Similarity | 0.6724 | NPC70940 |
Remote Similarity | 0.6724 | NPC86670 |
Remote Similarity | 0.6696 | NPC329064 |
Remote Similarity | 0.6696 | NPC285773 |
Remote Similarity | 0.6694 | NPC7435 |
Remote Similarity | 0.6692 | NPC9274 |
Remote Similarity | 0.6667 | NPC329556 |
Remote Similarity | 0.6667 | NPC255676 |
Remote Similarity | 0.6667 | NPC226041 |
Remote Similarity | 0.664 | NPC37914 |
Remote Similarity | 0.6638 | NPC9822 |
Remote Similarity | 0.6613 | NPC329282 |
Remote Similarity | 0.6562 | NPC475002 |
Remote Similarity | 0.6562 | NPC95126 |
Remote Similarity | 0.6557 | NPC221825 |
Remote Similarity | 0.6529 | NPC477767 |
Remote Similarity | 0.6512 | NPC66208 |
Remote Similarity | 0.6504 | NPC94487 |
Remote Similarity | 0.6475 | NPC229242 |
Remote Similarity | 0.6475 | NPC271475 |
Remote Similarity | 0.6452 | NPC474820 |
Remote Similarity | 0.6452 | NPC475978 |
Remote Similarity | 0.6435 | NPC95965 |
Remote Similarity | 0.6429 | NPC471186 |
Remote Similarity | 0.6429 | NPC105899 |
Remote Similarity | 0.6429 | NPC321670 |
Remote Similarity | 0.6417 | NPC34243 |
Remote Similarity | 0.6406 | NPC318327 |
Remote Similarity | 0.6404 | NPC288903 |
Remote Similarity | 0.6391 | NPC212891 |
Remote Similarity | 0.6387 | NPC141607 |
Remote Similarity | 0.6387 | NPC187725 |
Remote Similarity | 0.6364 | NPC221275 |
Remote Similarity | 0.6348 | NPC267704 |
Remote Similarity | 0.6336 | NPC306977 |
Remote Similarity | 0.6336 | NPC206414 |
Remote Similarity | 0.6336 | NPC287055 |
Remote Similarity | 0.6336 | NPC93287 |
Remote Similarity | 0.6336 | NPC242957 |
Remote Similarity | 0.6328 | NPC21929 |
Remote Similarity | 0.6328 | NPC156648 |
Remote Similarity | 0.6328 | NPC249811 |
Remote Similarity | 0.632 | NPC284477 |
Remote Similarity | 0.6303 | NPC84288 |
Remote Similarity | 0.6293 | NPC294134 |
Remote Similarity | 0.6288 | NPC471721 |
Remote Similarity | 0.6288 | NPC294458 |
Remote Similarity | 0.6279 | NPC281604 |
Remote Similarity | 0.6271 | NPC477693 |
Remote Similarity | 0.6271 | NPC477704 |
Remote Similarity | 0.627 | NPC247976 |
Remote Similarity | 0.626 | NPC289201 |
Remote Similarity | 0.626 | NPC270654 |
Remote Similarity | 0.625 | NPC317645 |
Remote Similarity | 0.625 | NPC185763 |
Remote Similarity | 0.625 | NPC100767 |
Remote Similarity | 0.625 | NPC83409 |
Remote Similarity | 0.6241 | NPC186933 |
Remote Similarity | 0.624 | NPC282895 |
Remote Similarity | 0.623 | NPC206764 |
Remote Similarity | 0.6222 | NPC45794 |
Remote Similarity | 0.6222 | NPC76308 |
Remote Similarity | 0.6222 | NPC325295 |
Remote Similarity | 0.622 | NPC472221 |
Remote Similarity | 0.622 | NPC472222 |
Remote Similarity | 0.6218 | NPC231591 |
Remote Similarity | 0.6212 | NPC477476 |
Remote Similarity | 0.6212 | NPC477475 |
Remote Similarity | 0.6204 | NPC470585 |
Remote Similarity | 0.6202 | NPC112903 |
Remote Similarity | 0.619 | NPC320891 |
Remote Similarity | 0.619 | NPC304873 |
Remote Similarity | 0.6181 | NPC246913 |
Remote Similarity | 0.6174 | NPC323103 |
Remote Similarity | 0.6172 | NPC134120 |
Remote Similarity | 0.6165 | NPC153053 |
Remote Similarity | 0.616 | NPC476042 |
Remote Similarity | 0.616 | NPC217621 |
Remote Similarity | 0.6154 | NPC475006 |
Remote Similarity | 0.6154 | NPC85493 |
Remote Similarity | 0.6154 | NPC475710 |
Remote Similarity | 0.6148 | NPC471928 |
Remote Similarity | 0.6148 | NPC471924 |
Remote Similarity | 0.6148 | NPC261181 |
Remote Similarity | 0.6148 | NPC158157 |
Remote Similarity | 0.6148 | NPC471925 |
Remote Similarity | 0.6143 | NPC318067 |
Remote Similarity | 0.6136 | NPC321852 |
Remote Similarity | 0.6136 | NPC471188 |
Remote Similarity | 0.6136 | NPC292834 |
Remote Similarity | 0.6136 | NPC471189 |
Remote Similarity | 0.6131 | NPC202015 |
Remote Similarity | 0.6131 | NPC79933 |
Remote Similarity | 0.6131 | NPC473974 |
Remote Similarity | 0.6131 | NPC42657 |
Remote Similarity | 0.6131 | NPC31296 |
Remote Similarity | 0.6131 | NPC258366 |
Remote Similarity | 0.6129 | NPC103048 |
Remote Similarity | 0.6129 | NPC253423 |
Remote Similarity | 0.6121 | NPC270507 |
Remote Similarity | 0.6119 | NPC476357 |
Remote Similarity | 0.6116 | NPC110704 |
Remote Similarity | 0.6115 | NPC269923 |
Remote Similarity | 0.6115 | NPC369 |
Remote Similarity | 0.6115 | NPC293831 |
Remote Similarity | 0.6115 | NPC167323 |
Remote Similarity | 0.6111 | NPC469481 |
Remote Similarity | 0.6103 | NPC471926 |
Remote Similarity | 0.6094 | NPC269644 |
Remote Similarity | 0.6094 | NPC19136 |
Remote Similarity | 0.6087 | NPC234337 |
Remote Similarity | 0.6087 | NPC280827 |
Remote Similarity | 0.6087 | NPC243059 |
Remote Similarity | 0.6087 | NPC183339 |
Remote Similarity | 0.6087 | NPC133389 |
Remote Similarity | 0.608 | NPC145052 |
Remote Similarity | 0.6071 | NPC108286 |
Remote Similarity | 0.6066 | NPC323164 |
Remote Similarity | 0.6063 | NPC244427 |
Remote Similarity | 0.6063 | NPC25458 |
Remote Similarity | 0.6063 | NPC222390 |
Remote Similarity | 0.6063 | NPC474112 |
Remote Similarity | 0.6061 | NPC260818 |
Remote Similarity | 0.6061 | NPC133308 |
Remote Similarity | 0.6061 | NPC265513 |
Remote Similarity | 0.6058 | NPC472698 |
Remote Similarity | 0.6058 | NPC472697 |
Remote Similarity | 0.6058 | NPC318173 |
Remote Similarity | 0.6058 | NPC328694 |
Remote Similarity | 0.6056 | NPC9180 |
Remote Similarity | 0.6056 | NPC100402 |
Remote Similarity | 0.6053 | NPC272260 |
Remote Similarity | 0.6048 | NPC61944 |
Remote Similarity | 0.6047 | NPC474307 |
Remote Similarity | 0.6045 | NPC307651 |
Remote Similarity | 0.6043 | NPC241001 |
Remote Similarity | 0.6043 | NPC164852 |
Remote Similarity | 0.6043 | NPC21216 |
Remote Similarity | 0.6034 | NPC103387 |
Remote Similarity | 0.6033 | NPC185501 |
Remote Similarity | 0.6032 | NPC54647 |
Remote Similarity | 0.6031 | NPC10251 |
Remote Similarity | 0.6031 | NPC17417 |
Remote Similarity | 0.6029 | NPC242764 |
Remote Similarity | 0.6029 | NPC105141 |
Remote Similarity | 0.6028 | NPC85511 |
Remote Similarity | 0.6028 | NPC328107 |
Remote Similarity | 0.6018 | NPC9796 |
Remote Similarity | 0.6017 | NPC123476 |
Remote Similarity | 0.6016 | NPC274443 |
Remote Similarity | 0.6015 | NPC280789 |
Remote Similarity | 0.6015 | NPC186128 |
Remote Similarity | 0.6015 | NPC218855 |
Remote Similarity | 0.6014 | NPC204784 |
Remote Similarity | 0.6 | NPC324569 |
Remote Similarity | 0.6 | NPC121800 |
Remote Similarity | 0.6 | NPC188677 |
Remote Similarity | 0.6 | NPC25385 |
Remote Similarity | 0.6 | NPC133135 |
Remote Similarity | 0.6 | NPC70843 |
Remote Similarity | 0.6 | NPC193640 |
Remote Similarity | 0.6 | NPC251579 |
Remote Similarity | 0.6 | NPC156021 |
Remote Similarity | 0.6 | NPC474111 |
Remote Similarity | 0.6 | NPC329705 |
Remote Similarity | 0.6 | NPC155429 |
Remote Similarity | 0.6 | NPC475905 |
Remote Similarity | 0.6 | NPC217111 |
Remote Similarity | 0.5986 | NPC295664 |
Remote Similarity | 0.5985 | NPC214067 |
Remote Similarity | 0.5985 | NPC196246 |
Remote Similarity | 0.5985 | NPC251854 |
Remote Similarity | 0.5985 | NPC476440 |
Remote Similarity | 0.5985 | NPC93084 |
Remote Similarity | 0.5984 | NPC158623 |
Remote Similarity | 0.5971 | NPC190501 |
Remote Similarity | 0.5971 | NPC478121 |
Remote Similarity | 0.5971 | NPC318552 |
Remote Similarity | 0.597 | NPC470253 |
TTD   | DIB001574 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 372.08 |
ALogP   | 0.9426 |
MLogP   | 3 |
XLogP   | 5.066 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 8 |
TPSA   | 79.82 |
RO5 Violation   | 1 |