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DocumentationIdentifier: MM387238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387238 |
| SMILES |
CC=CC(=CCOC)CO
|
| InChIKey |
ARUBFFIWIDRYKE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383697
Similarity: 0.74
Similarity to MM383697
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8506 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437839
Similarity: 0.7115
Similarity to MM437839
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8315 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159766
Similarity: 0.6989
Similarity to MM159766
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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