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DocumentationIdentifier: MM63707
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63707 |
| SMILES |
CC(=O)C#CC(=O)C(C)O
|
| InChIKey |
YWHUWEBVZUJRFU-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294186
Similarity: 0.8455
Similarity to MM294186
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9176 |
| Dice metric | 0.9163 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294184
Similarity: 0.8455
Similarity to MM294184
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9176 |
| Dice metric | 0.9163 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48363
Similarity: 0.8411
Similarity to MM48363
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
