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DocumentationIdentifier: MM60140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60140 |
| SMILES |
C=C(C#CCO)OC(C)=O
|
| InChIKey |
RFQGKKVGPSSPIO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
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: 0.875
Similarity to MM135951
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237837
Similarity: 0.7656
Similarity to MM237837
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8673 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264908
Similarity: 0.7615
Similarity to MM264908
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8646 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
