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DocumentationIdentifier: MM52005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52005 |
| SMILES |
N#CC(=CC=O)OC=O
|
| InChIKey |
QPAZDVWOASCWTQ-UHFFFAOYSA-N
|
| MW [Da] |
125.08
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385371
Similarity: 0.6934
Similarity to MM385371
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34296
Similarity: 0.6842
Similarity to MM34296
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52007
Similarity: 0.6577
Similarity to MM52007
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7935 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
