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DocumentationIdentifier: MM66821
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66821 |
| SMILES |
C#CC(CC(C)O)OC=O
|
| InChIKey |
HRQXTNFBQFPKNJ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90536
Similarity: 0.6143
Similarity to MM90536
| Tanimoto metric | 0.6143 |
|---|---|
| Cosine metric | 0.7613 |
| Dice metric | 0.7611 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261433
Similarity: 0.6116
Similarity to MM261433
| Tanimoto metric | 0.6116 |
|---|---|
| Cosine metric | 0.773 |
| Dice metric | 0.759 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116146
Similarity: 0.569
Similarity to MM116146
| Tanimoto metric | 0.569 |
|---|---|
| Cosine metric | 0.7543 |
| Dice metric | 0.7253 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
