Drug ID:   | NPD1191 |
Drug Name:   | T-607 |
Molecular Formula:   | C14H10F5N3O4S |
Canonical SMILES:   | COc1ccc(cc1NC(=N)O)NS(=O)(=O)c1c(F)c(F)c(c(c1F)F)F |
Standard InCHI:   | InChI=1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23) |
Standard InCHIKey:   | FSXLOWIFSZNIMV-UHFFFAOYSA-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 |
---|---|---|
Remote Similarity | 0.6786 | NPC260601 |
Remote Similarity | 0.6755 | NPC264782 |
Remote Similarity | 0.6667 | NPC476462 |
Remote Similarity | 0.6576 | NPC473432 |
Remote Similarity | 0.6497 | NPC315257 |
Remote Similarity | 0.6488 | NPC476475 |
Remote Similarity | 0.6429 | NPC314948 |
Remote Similarity | 0.6398 | NPC315632 |
Remote Similarity | 0.6345 | NPC478049 |
Remote Similarity | 0.6337 | NPC168750 |
Remote Similarity | 0.6257 | NPC47986 |
Remote Similarity | 0.625 | NPC297584 |
Remote Similarity | 0.6234 | NPC226914 |
Remote Similarity | 0.6229 | NPC473769 |
Remote Similarity | 0.619 | NPC208022 |
Remote Similarity | 0.6168 | NPC473987 |
Remote Similarity | 0.6117 | NPC73280 |
Remote Similarity | 0.6087 | NPC321869 |
Remote Similarity | 0.6065 | NPC255721 |
Remote Similarity | 0.6039 | NPC76327 |
Remote Similarity | 0.6034 | NPC314113 |
Remote Similarity | 0.6033 | NPC306366 |
Remote Similarity | 0.6012 | NPC471306 |
Remote Similarity | 0.6012 | NPC471321 |
Remote Similarity | 0.5988 | NPC237227 |
Remote Similarity | 0.5987 | NPC311660 |
Remote Similarity | 0.5969 | NPC290069 |
Remote Similarity | 0.596 | NPC70201 |
Remote Similarity | 0.5956 | NPC112766 |
Remote Similarity | 0.5938 | NPC220560 |
Remote Similarity | 0.5902 | NPC111492 |
Remote Similarity | 0.5902 | NPC203424 |
Remote Similarity | 0.5902 | NPC206372 |
Remote Similarity | 0.5873 | NPC1527 |
Remote Similarity | 0.5851 | NPC204179 |
Remote Similarity | 0.585 | NPC475411 |
Remote Similarity | 0.5848 | NPC313466 |
Remote Similarity | 0.5838 | NPC70549 |
Remote Similarity | 0.5824 | NPC40209 |
Remote Similarity | 0.5812 | NPC85482 |
Remote Similarity | 0.5798 | NPC118511 |
Remote Similarity | 0.5795 | NPC204156 |
Remote Similarity | 0.5792 | NPC13397 |
Remote Similarity | 0.5775 | NPC285635 |
Remote Similarity | 0.5775 | NPC231862 |
Remote Similarity | 0.5765 | NPC116096 |
Remote Similarity | 0.5745 | NPC315498 |
Remote Similarity | 0.5745 | NPC230942 |
Remote Similarity | 0.5722 | NPC473874 |
Remote Similarity | 0.5722 | NPC301163 |
Remote Similarity | 0.5714 | NPC322735 |
Remote Similarity | 0.5714 | NPC292143 |
Remote Similarity | 0.5714 | NPC139506 |
Remote Similarity | 0.5691 | NPC93653 |
Remote Similarity | 0.5685 | NPC118776 |
Remote Similarity | 0.5685 | NPC197335 |
Remote Similarity | 0.5684 | NPC70172 |
Remote Similarity | 0.5672 | NPC110741 |
Remote Similarity | 0.5672 | NPC242928 |
Remote Similarity | 0.5671 | NPC323948 |
Remote Similarity | 0.5671 | NPC316756 |
Remote Similarity | 0.5661 | NPC57105 |
Remote Similarity | 0.5661 | NPC257763 |
Remote Similarity | 0.5657 | NPC314659 |
Remote Similarity | 0.5654 | NPC314861 |
Remote Similarity | 0.5652 | NPC128823 |
Remote Similarity | 0.5648 | NPC258773 |
Remote Similarity | 0.5644 | NPC222982 |
Remote Similarity | 0.5635 | NPC222592 |
Remote Similarity | 0.5635 | NPC168486 |
Remote Similarity | 0.5628 | NPC469829 |
Remote Similarity | 0.5625 | NPC9336 |
Remote Similarity | 0.5625 | NPC208280 |
Remote Similarity | 0.5606 | NPC472163 |
Remote Similarity | 0.5606 | NPC474798 |
Remote Similarity | 0.5606 | NPC161887 |
Remote Similarity | 0.56 | NPC42591 |
TTD   | DIB011212 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 411.03 |
ALogP   | 1.3357 |
MLogP   | 1.57 |
XLogP   | 2.717 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 13 |
TPSA   | 119.89 |
RO5 Violation   | 0 |