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DocumentationIdentifier: MM54866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54866 |
| SMILES |
CC=C(C=O)OCC#N
|
| InChIKey |
XMAANECPYZCVOM-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90214
Similarity: 0.8365
Similarity to MM90214
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90217
Similarity: 0.8286
Similarity to MM90217
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90236
Similarity: 0.7909
Similarity to MM90236
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
