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DocumentationIdentifier: MM65051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65051 |
| SMILES |
C=CCC(=O)CC(=C)CO
|
| InChIKey |
ABPIMPLKWCIXOO-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65003
Similarity: 0.8598
Similarity to MM65003
| Tanimoto metric | 0.8598 |
|---|---|
| Cosine metric | 0.9246 |
| Dice metric | 0.9246 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59762
Similarity: 0.757
Similarity to MM59762
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8617 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65052
Similarity: 0.7458
Similarity to MM65052
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8544 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
