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DocumentationIdentifier: MM226533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226533 |
| SMILES |
C#CC(C)(C)CC(O)CO
|
| InChIKey |
WLWOUELRRJZMOI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42783
Similarity: 0.7895
Similarity to MM42783
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383163
Similarity: 0.7789
Similarity to MM383163
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79895
Similarity: 0.7212
Similarity to MM79895
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.838 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
