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DocumentationIdentifier: MM365252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365252 |
| SMILES |
O=C(O)COCC#CCO
|
| InChIKey |
ODIARMUCWXQLCW-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM314800
Similarity: 0.9412
Similarity to MM314800
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309968
Similarity: 0.8
Similarity to MM309968
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8889 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367386
Similarity: 0.7927
Similarity to MM367386
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8844 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
