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DocumentationIdentifier: MM59204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59204 |
| SMILES |
C#CCC(C)(O)C#CCO
|
| InChIKey |
LDRAQYIOLFORAJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132520
Similarity: 0.8252
Similarity to MM132520
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234201
Similarity: 0.7838
Similarity to MM234201
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8788 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42050
Similarity: 0.7767
Similarity to MM42050
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
