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DocumentationIdentifier: MM280527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280527 |
| SMILES |
C#CCC(=C)OC=CCC
|
| InChIKey |
HETSMVOPAQFMOS-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157026
Similarity: 0.8916
Similarity to MM157026
| Tanimoto metric | 0.8916 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9427 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280547
Similarity: 0.8065
Similarity to MM280547
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8929 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280557
Similarity: 0.7957
Similarity to MM280557
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8862 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
