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DocumentationIdentifier: MM262516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262516 |
| SMILES |
N#CCC(=O)CC(O)CO
|
| InChIKey |
GCKFBPOEXWUQIE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141944
Similarity: 0.7358
Similarity to MM141944
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262406
Similarity: 0.6903
Similarity to MM262406
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8168 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236780
Similarity: 0.6525
Similarity to MM236780
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7928 |
| Dice metric | 0.7897 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
