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DocumentationIdentifier: MM279862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279862 |
| SMILES |
COC=CCC(C)CC=O
|
| InChIKey |
RBCYOLHOONPDQN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406152
Similarity: 0.6848
Similarity to MM406152
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8129 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240289
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| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.7857 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372317
Similarity: 0.6471
Similarity to MM372317
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.7857 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
