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DocumentationIdentifier: MM388982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388982 |
| SMILES |
C#CC(C(C)=O)C(C)OC
|
| InChIKey |
CWAIDEPBTQMUJH-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52901
Similarity: 0.717
Similarity to MM52901
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160182
Similarity: 0.673
Similarity to MM160182
| Tanimoto metric | 0.673 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8045 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15892
Similarity: 0.6352
Similarity to MM15892
| Tanimoto metric | 0.6352 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7769 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
