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DocumentationIdentifier: MM90214
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90214 |
| SMILES |
N#CCOC(C=O)=CC=O
|
| InChIKey |
PYSOMDNFCMKUBW-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
MM54866
Similarity: 0.8365
Similarity to MM54866
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179174
Similarity: 0.7885
Similarity to MM179174
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90213
Similarity: 0.7193
Similarity to MM90213
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8367 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
