Drug ID:   | NPD8869 |
Drug Name:   | Tiopronin |
Molecular Formula:   | C5H9NO3S |
Canonical SMILES:   | CC(C(=NCC(=O)O)O)S |
Standard InCHI:   | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8) |
Standard InCHIKey:   | YTGJWQPHMWSCST-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 | 0.907 | NPC248970 |
High Similarity | 0.907 | NPC306238 |
Intermediate Similarity | 0.8298 | NPC319175 |
Intermediate Similarity | 0.8095 | NPC327250 |
Intermediate Similarity | 0.75 | NPC260324 |
Intermediate Similarity | 0.7083 | NPC297220 |
Remote Similarity | 0.6964 | NPC321419 |
Remote Similarity | 0.6818 | NPC69179 |
Remote Similarity | 0.6735 | NPC136476 |
Remote Similarity | 0.6735 | NPC49952 |
Remote Similarity | 0.661 | NPC289691 |
Remote Similarity | 0.66 | NPC204364 |
Remote Similarity | 0.6596 | NPC326808 |
Remote Similarity | 0.6596 | NPC254482 |
Remote Similarity | 0.6596 | NPC110533 |
Remote Similarity | 0.6596 | NPC317691 |
Remote Similarity | 0.6538 | NPC319110 |
Remote Similarity | 0.6538 | NPC329181 |
Remote Similarity | 0.65 | NPC325597 |
Remote Similarity | 0.65 | NPC174304 |
Remote Similarity | 0.6471 | NPC227850 |
Remote Similarity | 0.64 | NPC213876 |
Remote Similarity | 0.64 | NPC185755 |
Remote Similarity | 0.6346 | NPC170739 |
Remote Similarity | 0.6346 | NPC152451 |
Remote Similarity | 0.6346 | NPC328378 |
Remote Similarity | 0.6346 | NPC193989 |
Remote Similarity | 0.6226 | NPC327239 |
Remote Similarity | 0.62 | NPC191136 |
Remote Similarity | 0.6182 | NPC316889 |
Remote Similarity | 0.6182 | NPC321118 |
Remote Similarity | 0.6111 | NPC322946 |
Remote Similarity | 0.6087 | NPC25237 |
Remote Similarity | 0.6071 | NPC322573 |
Remote Similarity | 0.6061 | NPC315897 |
Remote Similarity | 0.6 | NPC263065 |
Remote Similarity | 0.6 | NPC329495 |
Remote Similarity | 0.6 | NPC189178 |
Remote Similarity | 0.6 | NPC317815 |
Remote Similarity | 0.6 | NPC43264 |
Remote Similarity | 0.5965 | NPC38463 |
Remote Similarity | 0.5962 | NPC282097 |
Remote Similarity | 0.5938 | NPC319046 |
Remote Similarity | 0.5926 | NPC114990 |
Remote Similarity | 0.5926 | NPC125736 |
Remote Similarity | 0.5909 | NPC14778 |
Remote Similarity | 0.5854 | NPC320704 |
Remote Similarity | 0.5849 | NPC153370 |
Remote Similarity | 0.5846 | NPC126779 |
Remote Similarity | 0.5818 | NPC19576 |
Remote Similarity | 0.5818 | NPC29950 |
Remote Similarity | 0.5814 | NPC16947 |
Remote Similarity | 0.5789 | NPC102815 |
Remote Similarity | 0.5789 | NPC327831 |
Remote Similarity | 0.5769 | NPC198196 |
Remote Similarity | 0.5769 | NPC228932 |
Remote Similarity | 0.5714 | NPC53449 |
Remote Similarity | 0.5714 | NPC168375 |
Remote Similarity | 0.5714 | NPC145077 |
Remote Similarity | 0.5714 | NPC326992 |
Remote Similarity | 0.5714 | NPC121517 |
Remote Similarity | 0.5714 | NPC235432 |
Remote Similarity | 0.569 | NPC325985 |
Remote Similarity | 0.5686 | NPC198301 |
Remote Similarity | 0.5682 | NPC59650 |
Remote Similarity | 0.5667 | NPC327748 |
Remote Similarity | 0.5667 | NPC321468 |
Remote Similarity | 0.5667 | NPC473599 |
Remote Similarity | 0.5667 | NPC317143 |
Remote Similarity | 0.5667 | NPC254541 |
Remote Similarity | 0.5667 | NPC325734 |
Remote Similarity | 0.5667 | NPC316826 |
Remote Similarity | 0.566 | NPC118187 |
Remote Similarity | 0.5614 | NPC145235 |
TTD   | DNAP001473 |
DrugBank   | DB06823 |
ChEMBL   | CHEMBL1314 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D01430 |
PubChem CID   | 5483 |
ChEBI   | 32229 |
CAS Number   |
Molecular Weight   | 163.03 |
ALogP   | -0.118 |
MLogP   | 1.46 |
XLogP   | -0.399 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 7 |
TPSA   | 108.69 |
RO5 Violation   | 0 |