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DocumentationIdentifier: MM169815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169815 |
| SMILES |
COCC=CC(=O)CO
|
| InChIKey |
SXGKKSLIYDHSLV-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93037
Similarity: 0.8488
Similarity to MM93037
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114235
Similarity: 0.7945
Similarity to MM114235
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33672
Similarity: 0.7534
Similarity to MM33672
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
