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DocumentationIdentifier: MM79804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79804 |
| SMILES |
C#CC(O)CC(C#C)CO
|
| InChIKey |
JHHHDEMEDWSWMM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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
MM44432
Similarity: 0.7921
Similarity to MM44432
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327420
Similarity: 0.7478
Similarity to MM327420
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8557 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42779
Similarity: 0.7327
Similarity to MM42779
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+520 more
