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DocumentationIdentifier: MM90543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90543 |
| SMILES |
N#CC#CC(=O)C(O)C=O
|
| InChIKey |
IIPGRWJIQXNWGP-UHFFFAOYSA-N
|
| MW [Da] |
137.09
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163694
Similarity: 0.7857
Similarity to MM163694
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90544
Similarity: 0.6623
Similarity to MM90544
| Tanimoto metric | 0.6623 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7968 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90593
Similarity: 0.6471
Similarity to MM90593
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7857 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
