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DocumentationIdentifier: MM242699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242699 |
| SMILES |
CC#CC(=O)C(C)(C)C=O
|
| InChIKey |
QAWLMZSDKWJPKZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76951
Similarity: 0.6949
Similarity to MM76951
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.82 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231775
Similarity: 0.6814
Similarity to MM231775
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.816 |
| Dice metric | 0.8105 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132234
Similarity: 0.6792
Similarity to MM132234
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.809 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
