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DocumentationIdentifier: MM69176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69176 |
| SMILES |
O=C(O)C#CCOCCO
|
| InChIKey |
CBBVKYYIXYIVKR-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
MM394893
Similarity: 0.8857
Similarity to MM394893
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-prop-2-ynoxybut-2-ynoic Acid
Similarity: 0.863
Similarity to 4-prop-2-ynoxybut-2-ynoic Acid
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9265 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16135
Similarity: 0.7805
Similarity to MM16135
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8767 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
