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DocumentationIdentifier: MM404444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404444 |
| SMILES |
C#CC(CC)C(C)C(C)O
|
| InChIKey |
JCWFLZUHJBCRDS-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407039
Similarity: 0.8058
Similarity to MM407039
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397029
Similarity: 0.7281
Similarity to MM397029
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8426 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370327
Similarity: 0.7257
Similarity to MM370327
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.841 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
