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DocumentationIdentifier: MM104667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104667 |
| SMILES |
C=C(C#N)OC(C)=O
|
| InChIKey |
LFSHREXVLSTLFB-UHFFFAOYSA-N
|
| MW [Da] |
111.1
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142768
Similarity: 0.7475
Similarity to MM142768
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142770
Similarity: 0.7327
Similarity to MM142770
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142843
Similarity: 0.7255
Similarity to MM142843
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
