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DocumentationIdentifier: MM52067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52067 |
| SMILES |
C#CC(=CC=O)OC=O
|
| InChIKey |
WEFGCIAMDBPXBG-UHFFFAOYSA-N
|
| MW [Da] |
124.1
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116598
Similarity: 0.7526
Similarity to MM116598
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16190
Similarity: 0.708
Similarity to MM16190
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8291 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274778
Similarity: 0.6879
Similarity to MM274778
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8151 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
