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DocumentationIdentifier: MM328276
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328276 |
| SMILES |
C#CC(C)OC(C#C)C=O
|
| InChIKey |
CQMATHLLAUQZQN-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54455
Similarity: 0.9136
Similarity to MM54455
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79886
Similarity: 0.9059
Similarity to MM79886
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9506 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141891
Similarity: 0.8519
Similarity to MM141891
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
