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DocumentationIdentifier: MM261801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261801 |
| SMILES |
C#CC(C)CC(C)OC=O
|
| InChIKey |
YBAGWHQLURQDAT-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156009
Similarity: 0.7255
Similarity to MM156009
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135135
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Similarity to MM135135
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.814 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166288
Similarity: 0.6471
Similarity to MM166288
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
