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DocumentationIdentifier: MM237837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237837 |
| SMILES |
C=C(C#CC=O)OC(C)=O
|
| InChIKey |
SNNVJPKLOZNLDZ-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135951
Similarity: 0.8596
Similarity to MM135951
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60140
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| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8673 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264908
Similarity: 0.7634
Similarity to MM264908
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8658 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
