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DocumentationIdentifier: MM90216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90216 |
| SMILES |
N#CC=C(C=O)OCC=O
|
| InChIKey |
PTUVHEKUMODYAV-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179176
Similarity: 0.8654
Similarity to MM179176
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90217
Similarity: 0.7712
Similarity to MM90217
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8708 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90147
Similarity: 0.7521
Similarity to MM90147
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8585 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
