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DocumentationIdentifier: MM294468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294468 |
| SMILES |
CC=CC#CC(C)C(C)=O
|
| InChIKey |
WCANYUKGJWAOCP-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163603
Similarity: 0.8723
Similarity to MM163603
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433264
Similarity: 0.7822
Similarity to MM433264
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8778 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396286
Similarity: 0.713
Similarity to MM396286
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8325 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
