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DocumentationIdentifier: MM350005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350005 |
| SMILES |
C#CCOC(C)C(=O)C#C
|
| InChIKey |
LKXTXIIQLIGZBI-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172843
Similarity: 0.8655
Similarity to MM172843
| Tanimoto metric | 0.8655 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9279 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84796
Similarity: 0.7591
Similarity to MM84796
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8631 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84816
Similarity: 0.7254
Similarity to MM84816
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8408 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
