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DocumentationIdentifier: MM78248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78248 |
| SMILES |
C#CC(C#C)(C=O)OC=O
|
| InChIKey |
OVYPNNPKFHFDLP-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42429
Similarity: 0.8421
Similarity to MM42429
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58380
Similarity: 0.64
Similarity to MM58380
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.7826 |
| Dice metric | 0.7805 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139636
Similarity: 0.6316
Similarity to MM139636
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7742 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
