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DocumentationIdentifier: MM409879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409879 |
| SMILES |
C#CC(OC)C(=C)COC
|
| InChIKey |
HCKXPCFANZHEAJ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53477
Similarity: 0.8561
Similarity to MM53477
| Tanimoto metric | 0.8561 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50477
Similarity: 0.7803
Similarity to MM50477
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94933
Similarity: 0.689
Similarity to MM94933
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8159 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
