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DocumentationIdentifier: MM94952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94952 |
| SMILES |
C#CC(=O)C(C#C)OCC
|
| InChIKey |
IXDLUIGOPXEVDB-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
MM53490
Similarity: 0.7929
Similarity to MM53490
| Tanimoto metric | 0.7929 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8845 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172843
Similarity: 0.7357
Similarity to MM172843
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84796
Similarity: 0.6582
Similarity to MM84796
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7939 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
