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DocumentationIdentifier: MM90147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90147 |
| SMILES |
N#CC=C(C=O)OCCO
|
| InChIKey |
APDJXAATWSJQCP-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.4
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: 0.8333
Similarity to MM179176
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90216
Similarity: 0.7521
Similarity to MM90216
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8585 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90217
Similarity: 0.7317
Similarity to MM90217
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8451 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
